Consensus flow list

2-[(4-nitrophenyl)diazenyl]-3-oxo-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)butanamide

fo-b42a83e8a1da791c

Identity

Type
NeutralMolecule
CAS
52846-56-7
EC
258-221-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-[(4-nitrophenyl)diazenyl]-3-oxo-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)butanamide

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HXXOOSWHCMYQQV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H14N6O5/c1-9(24)15(22-21-10-2-5-12(6-3-10)23(27)28)16(25)18-11-4-7-13-14(8-11)20-17(26)19-13/h2-8,15H,1H3,(H,18,25)(H2,19,20,26)
IUPAC name chemrof:IUPAC_name N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(4-nitrophenyl)diazenyl]-3-oxobutanamide
Molecular formula chemrof:molecular_formula C17H14N6O5
Molecular mass chemrof:molecular_mass 382.336
Monoisotopic mass chemrof:monoisotopic_mass 382.102568
SMILES string chemrof:smiles_string CC(=O)C(N=Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1

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=52846-56-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.052.911 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.939 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20866286 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GE815I9E0D enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J295.817A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/103697 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126609779 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27279053 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
11a7c7b9-8ca9-4ac4-9e45-fa6745ea4ebf Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cfaa5193-1966-49bd-8f9a-2a1bfb7e24d4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
86dcdc16-abb5-4cd0-b915-13c00e7f4298 Environmental → Air → Indoor EF 3.1 kg 4
99a3e66e-6343-4d53-9948-2358f1436632 Environmental → Air → Long-term EF 3.1 kg 0
e58c0233-8d71-44f8-8208-9ca0a356ea1a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3d4ce337-667b-4164-b252-c83939c5008c Environmental → Air → Unknown EF 3.1 kg 4
86b0144a-2a1f-423a-866e-38779b6699b0 Environmental → Ground → Agricultural EF 3.1 kg 4
5daf5452-270c-488a-9c57-6ca357e44a3c Environmental → Ground → Non-agricultural EF 3.1 kg 4
513314e4-91ca-4c1e-8b0c-4400e54fe173 Environmental → Ground → Unknown EF 3.1 kg 4
bb788ec9-248d-4143-802e-13b71dbad468 Environmental → Water → Long-term EF 3.1 kg 0
012543ad-28e4-48f9-b209-6bf38cf7e303 Environmental → Water → Ocean EF 3.1 kg 4
ce7e764b-2788-461b-ba94-0291eb73f7b4 Environmental → Water → Surface water EF 3.1 kg 4
99e1cd19-45b6-4bf6-b0a5-98abb1774921 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 
{
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      "@value": "2-[(4-nitrophenyl)diazenyl]-3-oxo-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)butanamide",
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      "@value": "Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[(4-nitrophenyl)azo]-3-oxo-",
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}

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