Consensus flow list

Identity

Type
Neutral molecule
CAS
6528-34-3
EC
229-419-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-[(4-methoxy-2-nitrophenyl)diazenyl]-n-(2-methoxyphenyl)-3-oxobutanamide

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UFORAEIAYCSGCR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-14-6-4-5-7-16(14)28-3)21-20-13-9-8-12(27-2)10-15(13)22(25)26/h4-10,17H,1-3H3,(H,19,24)
IUPAC name chemrof:IUPAC_name 2-[2-(4-Methoxy-2-nitrophenyl)diazen-1-yl]-N-(2-methoxyphenyl)-3-oxobutanamide
Molecular formula chemrof:molecular_formula C18H18N4O6
Molecular mass chemrof:molecular_mass 386.364
Monoisotopic mass chemrof:monoisotopic_mass 386.122634
SMILES string chemrof:smiles_string COc1ccc(N=NC(C(C)=O)C(=O)Nc2ccccc2OC)c([N+](=O)[O-])c1

Known URLs

7

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=6528-34-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.026.746 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0052336 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PKZ8989NC5 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.090A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/110892 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72499819 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8cfc6857-e7c1-4679-a93a-ac1607ff2101 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ef8e3f3d-63d1-4fcb-8b72-cb48123c9c2d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8038045b-600d-44c8-ba20-f62c7cdf62f2 Environmental → Air → Indoor EF 3.1 kg 4
e8d190e6-d7b7-4187-8d5e-bc8ef17c8787 Environmental → Air → Long-term EF 3.1 kg 0
2fe9f109-59d1-457d-a310-5f047f836702 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7959bc04-c438-469b-9ce8-ea96e0d1f9be Environmental → Air → Unknown EF 3.1 kg 4
8ffd0e94-42c0-44a3-b3a0-e80c8262cec3 Environmental → Ground → Agricultural EF 3.1 kg 4
ad2610c0-f863-407c-a072-74c8a3f0526a Environmental → Ground → Non-agricultural EF 3.1 kg 4
2f88866d-6447-4d38-9612-f4a6e89c4e16 Environmental → Ground → Unknown EF 3.1 kg 4
538ba1e0-a48b-4401-a621-795154e6c428 Environmental → Water → Long-term EF 3.1 kg 0
d2227313-f782-4568-895d-58eb0b4339e1 Environmental → Water → Ocean EF 3.1 kg 4
77d2cc65-1d49-406f-86dd-db6b581af26a Environmental → Water → Surface water EF 3.1 kg 4
dcdea1e5-d9f4-4edf-902b-22a9182e7a0b 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-5ee61030dc0ed33a",
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    {
      "@value": "2-[(4-methoxy-2-nitrophenyl)diazenyl]-n-(2-methoxyphenyl)-3-oxobutanamide",
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        "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": [
        "6528-34-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=6528-34-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=6528-34-3"
        }
      ],
      "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": [
        "229-419-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=229-419-9"
      ],
      "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"
  ]
}

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