Consensus flow list

Identity

Type
Neutral molecule
CAS
80675-49-6
EC
617-143-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-[(2-methoxy-5-nitrophenyl)diazenyl]-n-(2-methoxyphenyl)-3-oxobutanamide

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OQWQAIRBZGBTBN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-13-6-4-5-7-15(13)27-2)21-20-14-10-12(22(25)26)8-9-16(14)28-3/h4-10,17H,1-3H3,(H,19,24)
IUPAC name chemrof:IUPAC_name 2-[2-(2-Methoxy-5-nitrophenyl)diazenyl]-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+](=O)[O-])cc1N=NC(C(C)=O)C(=O)Nc1ccccc1OC

Known URLs

4

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=80675-49-6 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID201020936 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.783.182F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/102295954 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
c6eed4a9-12f9-4bf9-a519-ee75c8e28079 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4e776af2-cf5e-4904-9212-62cbad5da18b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
85b6b6df-e8ec-40c9-a6bc-ff6fa893553b Environmental → Air → Indoor EF 3.1 kg 4
a3338d20-c534-4bfa-a4cf-2e23f37b858c Environmental → Air → Long-term EF 3.1 kg 0
6332212b-72e3-4416-95be-ca4398c6536b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
27f082c7-f70c-48fc-a6fd-e8f696084920 Environmental → Air → Unknown EF 3.1 kg 4
fd668a9a-66fd-4338-9917-8d9a2c856f94 Environmental → Ground → Agricultural EF 3.1 kg 4
d7ba08b6-2931-445e-882f-5d454fd719ea Environmental → Ground → Non-agricultural EF 3.1 kg 4
c8723dee-36a9-483b-ba88-89f0c98335b4 Environmental → Ground → Unknown EF 3.1 kg 4
e6bc8545-3466-47e4-88ba-e682fb3efdb5 Environmental → Water → Long-term EF 3.1 kg 0
4779bfca-5bc2-4296-ac3f-f0d9726dec2a Environmental → Water → Ocean EF 3.1 kg 4
8f4d974b-347c-4be5-8425-63af98fb126f Environmental → Water → Surface water EF 3.1 kg 4
1573db58-003f-45c4-8f9d-62e669c71d00 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-850c52c90d4a9bb1",
  "prefLabel": [
    {
      "@value": "2-[(2-methoxy-5-nitrophenyl)diazenyl]-n-(2-methoxyphenyl)-3-oxobutanamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  ],
  "altLabel": [
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    },
    {
      "@value": "Butanamide, 2-[(2-methoxy-5-nitrophenyl)azo]-N-(2-methoxyphenyl)-3-oxo-",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanamide, 2-[2-(2-methoxy-5-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxo-",
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        }
      ],
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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