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2-(2-(1-(((2-methoxyphenyl)amino)carbonyl)-2-oxopropyl)diazenyl)benzoic Acid

fo-38aa0daad003bd49

Identity

Type
Neutral molecule
CAS
877670-90-1
EC
683-287-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-(2-(1-(((2-methoxyphenyl)amino)carbonyl)-2-oxopropyl)diazenyl)benzoic Acid

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RDCAJFZYOSLJBZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H17N3O5/c1-11(22)16(17(23)19-14-9-5-6-10-15(14)26-2)21-20-13-8-4-3-7-12(13)18(24)25/h3-10,16H,1-2H3,(H,19,23)(H,24,25)
IUPAC name chemrof:IUPAC_name 2-(2-(1-(((2-methoxyphenyl)amino)carbonyl)-2-oxopropyl)diazenyl)benzoic Acid
Molecular formula chemrof:molecular_formula C18H17N3O5
Molecular mass chemrof:molecular_mass 355.35
Monoisotopic mass chemrof:monoisotopic_mass 355.116821
SMILES string chemrof:smiles_string COc1ccccc1NC(=O)C(N=Nc1ccccc1C(=O)O)C(C)=O

Known URLs

6

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=877670-90-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.208.809 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90893842 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.204.980J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/90972518 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81987783 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ad1021b4-5a60-4cae-8808-311f4ea587b5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
aeed006f-4216-4698-83e1-c01b2a9b25f4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
659c6473-8ab8-48be-88d9-e49442af0204 Environmental → Air → Indoor EF 3.1 kg 2
e752405e-b786-4929-8293-b218a1c359f9 Environmental → Air → Long-term EF 3.1 kg 0
0e1891a5-0c16-4060-a83a-1a4fc00c14c2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f2fb5d68-8081-46fd-9fa4-bb5d58922f11 Environmental → Air → Unknown EF 3.1 kg 2
39c733bf-ac89-4819-b187-ab6210b48d01 Environmental → Ground → Agricultural EF 3.1 kg 2
ce14a720-eae5-4d9d-92f9-993fdcfbe2ce Environmental → Ground → Non-agricultural EF 3.1 kg 2
928cb692-1eb6-4e9e-9708-ef9ce378ebaa Environmental → Ground → Unknown EF 3.1 kg 2
5b9b2337-0c93-4187-b238-2cd81dca901b Environmental → Water → Long-term EF 3.1 kg 0
3374ef12-3792-4cf5-ba54-a3311acd27ee Environmental → Water → Ocean EF 3.1 kg 2
a942762e-ee14-4012-921c-c9142883c428 Environmental → Water → Surface water EF 3.1 kg 2
2d037cb8-b22f-49cf-9c34-a1610ece9ad2 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-38aa0daad003bd49",
  "prefLabel": [
    {
      "@value": "2-(2-(1-(((2-methoxyphenyl)amino)carbonyl)-2-oxopropyl)diazenyl)benzoic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-[2-[1-[[(2-Methoxyphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]benzoic acid",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 2-[2-[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-",
      "@language": "en",
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      }
    },
    {
      "@value": "Benzoic acid, 2-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-",
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}

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