Consensus flow list

4-[(4-carbamoylphenyl)diazenyl]-3-hydroxy-n-(2-methoxyphenyl)-2-naphthamide

fo-3fe946f3dc90f804

Identity

Type
Neutral molecule
CAS
36968-27-1
EC
253-292-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-[(4-carbamoylphenyl)diazenyl]-3-hydroxy-n-(2-methoxyphenyl)-2-naphthamide

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HULNYTPFPARJMG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C25H20N4O4/c1-33-21-9-5-4-8-20(21)27-25(32)19-14-16-6-2-3-7-18(16)22(23(19)30)29-28-17-12-10-15(11-13-17)24(26)31/h2-14,30H,1H3,(H2,26,31)(H,27,32)
IUPAC name chemrof:IUPAC_name 2-Naphthalenecarboxamide, 4-[2-[4-(aminocarbonyl)phenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-
Molecular formula chemrof:molecular_formula C25H20N4O4
Molecular mass chemrof:molecular_mass 440.459
Monoisotopic mass chemrof:monoisotopic_mass 440.148455
SMILES string chemrof:smiles_string COc1ccccc1NC(=O)c1cc2ccccc2c(N=Nc2ccc(C(N)=O)cc2)c1O

Known URLs

8

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=36968-27-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.048.432 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6068014 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6D7L63VX8K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.759.751E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.710G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/162235 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72499651 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
06a69a4d-52e3-471e-8287-ad40fd6c5080 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
eb4fb37b-0a1f-4621-9d73-aa456a5deb5c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9ad2deab-9721-4daf-a707-0e5364ce79b0 Environmental → Air → Indoor EF 3.1 kg 4
aefb746f-51ad-467e-95c8-f7a43e34b9d0 Environmental → Air → Long-term EF 3.1 kg 0
d7e50921-420d-4170-99cc-b8ed19b74f23 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
9db22e97-f01f-4110-b321-7f6581dd33ee Environmental → Air → Unknown EF 3.1 kg 4
c83c14d0-5387-427b-9169-ff0a52e85cd6 Environmental → Ground → Agricultural EF 3.1 kg 4
5b9517e3-acc6-48e3-9c21-b43df81482fe Environmental → Ground → Non-agricultural EF 3.1 kg 4
125ff4d7-280b-4172-a6ec-be5e47471565 Environmental → Ground → Unknown EF 3.1 kg 4
e339070d-312f-4f7a-8351-ff6c2fe9d50d Environmental → Water → Long-term EF 3.1 kg 0
b55f776a-0ccc-4ac1-9b86-db10df062aae Environmental → Water → Ocean EF 3.1 kg 4
6fa61694-039a-42b4-b0d2-bd65c440d104 Environmental → Water → Surface water EF 3.1 kg 4
4b2d08b9-c3eb-4d00-8725-222d798f4f30 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-3fe946f3dc90f804",
  "prefLabel": [
    {
      "@value": "4-[(4-carbamoylphenyl)diazenyl]-3-hydroxy-n-(2-methoxyphenyl)-2-naphthamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Naphthalenecarboxamide, 4-[2-[4-(aminocarbonyl)phenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36968-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36968-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Naphthalenecarboxamide, 4-[[4-(aminocarbonyl)phenyl]azo]-3-hydroxy-N-(2-methoxyphenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36968-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36968-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-[2-[4-(Aminocarbonyl)phenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-2-naphthalenecarboxamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36968-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36968-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. Pigment Red 170:1",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36968-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36968-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. Pigment Red 266",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36968-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36968-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pigment Red 170:1",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36968-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36968-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pigment Red 266",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:36968-27-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36968-27-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C25H20N4O4"
      ],
      "attested_by": {
        "C25H20N4O4": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:162235"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1ccccc1NC(=O)c1cc2ccccc2c(N=Nc2ccc(C(N)=O)cc2)c1O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HULNYTPFPARJMG-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "HULNYTPFPARJMG-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:162235"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1ccccc1NC(=O)c1cc2ccccc2c(N=Nc2ccc(C(N)=O)cc2)c1O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "COc1ccccc1NC(=O)c1cc2ccccc2c(N=Nc2ccc(C(N)=O)cc2)c1O"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-Naphthalenecarboxamide, 4-[2-[4-(aminocarbonyl)phenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1ccccc1NC(=O)c1cc2ccccc2c(N=Nc2ccc(C(N)=O)cc2)c1O"
          ]
        }
      ],
      "attested_by": {
        "COc1ccccc1NC(=O)c1cc2ccccc2c(N=Nc2ccc(C(N)=O)cc2)c1O": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C25H20N4O4/c1-33-21-9-5-4-8-20(21)27-25(32)19-14-16-6-2-3-7-18(16)22(23(19)30)29-28-17-12-10-15(11-13-17)24(26)31/h2-14,30H,1H3,(H2,26,31)(H,27,32)"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-Naphthalenecarboxamide, 4-[2-[4-(aminocarbonyl)phenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1ccccc1NC(=O)c1cc2ccccc2c(N=Nc2ccc(C(N)=O)cc2)c1O"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C25H20N4O4/c1-33-21-9-5-4-8-20(21)27-25(32)19-14-16-6-2-3-7-18(16)22(23(19)30)29-28-17-12-10-15(11-13-17)24(26)31/h2-14,30H,1H3,(H2,26,31)(H,27,32)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2-Naphthalenecarboxamide, 4-[2-[4-(aminocarbonyl)phenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-Naphthalenecarboxamide, 4-[2-[4-(aminocarbonyl)phenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-"
        ]
      },
      "attested_by": {
        "2-Naphthalenecarboxamide, 4-[2-[4-(aminocarbonyl)phenyl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)-": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        440.459
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)C(=O)N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1ccccc1NC(=O)c1cc2ccccc2c(N=Nc2ccc(C(N)=O)cc2)c1O"
          ]
        }
      ],
      "attested_by": {
        "440.459": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        440.148455
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)C(=O)N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1ccccc1NC(=O)c1cc2ccccc2c(N=Nc2ccc(C(N)=O)cc2)c1O"
          ]
        }
      ],
      "attested_by": {
        "440.148455": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.759.751E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162235;CAS:36968-27-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36968-27-1]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J260.710G",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162235;CAS:36968-27-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36968-27-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.048.432",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162235;CAS:36968-27-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36968-27-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=36968-27-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "36968-27-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6068014",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162235;CAS:36968-27-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36968-27-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6D7L63VX8K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162235;CAS:36968-27-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36968-27-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/162235",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162235;CAS:36968-27-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[36968-27-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72499651",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:162235;CAS:36968-27-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[36968-27-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "06a69a4d-52e3-471e-8287-ad40fd6c5080",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "36968-27-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=36968-27-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=36968-27-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "253-292-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=253-292-9"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.