Consensus flow list

Identity

Type
Neutral molecule
CAS
15993-42-7
EC
240-131-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanamide

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AYOFXUHULUCJBF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H17ClN4O6/c1-10(24)17(18(25)20-14-8-11(19)4-7-15(14)28-2)22-21-13-6-5-12(23(26)27)9-16(13)29-3/h4-9,17H,1-3H3,(H,20,25)
IUPAC name chemrof:IUPAC_name N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)diazenyl]-3-oxobutanamide
Molecular formula chemrof:molecular_formula C18H17ClN4O6
Molecular mass chemrof:molecular_mass 420.809
Monoisotopic mass chemrof:monoisotopic_mass 420.083662
SMILES string chemrof:smiles_string COc1cc([N+](=O)[O-])ccc1N=NC(C(C)=O)C(=O)Nc1cc(Cl)ccc1OC

Known URLs

9

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=15993-42-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.036.467 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.129.440 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90864653 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/26W64U012B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J219.929G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/85940 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126616027 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27254128 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b36518eb-eb8a-48c8-8883-40be79c78e8d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2520a35e-577a-48ff-9f68-fdc6b6fcb83b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
bb9ad9bc-f0b1-4ffd-be11-ad7d808ae463 Environmental → Air → Indoor EF 3.1 kg 4
1f7abe28-5203-47d3-b17e-248adb03569d Environmental → Air → Long-term EF 3.1 kg 0
682c9f55-e440-498d-8609-b02ce7430643 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
915f453e-ed22-49d8-a4af-4f48ef1fc6b3 Environmental → Air → Unknown EF 3.1 kg 4
643cf780-0963-4852-b473-a34c4188aa88 Environmental → Ground → Agricultural EF 3.1 kg 4
11cc7ddf-b463-4ead-ad21-f642e52cf41b Environmental → Ground → Non-agricultural EF 3.1 kg 4
b42f5e26-0e5c-40e5-89d6-bbc1006d1dac Environmental → Ground → Unknown EF 3.1 kg 4
c471cfcb-2612-41fc-9360-3fde67901366 Environmental → Water → Long-term EF 3.1 kg 0
77b4d588-2d31-4dfd-a0b3-f2f7e2d8b2e6 Environmental → Water → Ocean EF 3.1 kg 4
3972ee7f-cbec-42f2-8ec8-2b40c9de013f Environmental → Water → Surface water EF 3.1 kg 4
f87e9c8a-48b1-469a-bbbb-b6021fb22c53 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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  ],
  "altLabel": [
    {
      "@value": "Butanamide, N-(5-chloro-2-methoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)azo]-3-oxo-",
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      "@value": "Butanamide, N-(5-chloro-2-methoxyphenyl)-2-[2-(2-methoxy-4-nitrophenyl)diazenyl]-3-oxo-",
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    {
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