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

Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[(4-nitrophenyl)azo]-3-oxo-
Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(4-nitrophenyl)diazenyl]-3-oxo-
C.I. Pigment Orange 62
N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(4-nitrophenyl)diazenyl]-3-oxobutanamide
Novoperm Orange H 5G70
Pigment Orange 62

Property	Value
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

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	https://www.wikidata.org/wiki/Q126609779	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27279053	enrich_references.pubchem_identifier_url

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

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-b42a83e8a1da791c",
  "prefLabel": [
    {
      "@value": "2-[(4-nitrophenyl)diazenyl]-3-oxo-n-(2-oxo-2,3-dihydro-1h-benzimidazol-5-yl)butanamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[(4-nitrophenyl)azo]-3-oxo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52846-56-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52846-56-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(4-nitrophenyl)diazenyl]-3-oxo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52846-56-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52846-56-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. Pigment Orange 62",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52846-56-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52846-56-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(4-nitrophenyl)diazenyl]-3-oxobutanamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52846-56-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52846-56-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Novoperm Orange H 5G70",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52846-56-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52846-56-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pigment Orange 62",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:52846-56-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=52846-56-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C17H14N6O5"
      ],
      "attested_by": {
        "C17H14N6O5": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:103697"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)C(N=Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "HXXOOSWHCMYQQV-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "HXXOOSWHCMYQQV-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:103697"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)C(N=Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(=O)C(N=Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(4-nitrophenyl)diazenyl]-3-oxobutanamide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)C(N=Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1"
          ]
        }
      ],
      "attested_by": {
        "CC(=O)C(N=Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "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)"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(4-nitrophenyl)diazenyl]-3-oxobutanamide"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)C(N=Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1"
          ]
        }
      ],
      "attested_by": {
        "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)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(4-nitrophenyl)diazenyl]-3-oxobutanamide"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(4-nitrophenyl)diazenyl]-3-oxobutanamide"
        ]
      },
      "attested_by": {
        "N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(4-nitrophenyl)diazenyl]-3-oxobutanamide": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        382.336
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=CC=C(C=C3)[N+](=O)[O-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)C(N=Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1"
          ]
        }
      ],
      "attested_by": {
        "382.336": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        382.102568
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=CC=C(C=C3)[N+](=O)[O-]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(=O)C(N=Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1"
          ]
        }
      ],
      "attested_by": {
        "382.102568": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J295.817A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:103697;CAS:52846-56-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52846-56-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.052.911",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:103697;CAS:52846-56-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52846-56-7]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.112.939",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:103697;CAS:52846-56-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52846-56-7]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=52846-56-7",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "52846-56-7"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID20866286",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:103697;CAS:52846-56-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52846-56-7]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GE815I9E0D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:103697;CAS:52846-56-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52846-56-7]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/103697",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:103697;CAS:52846-56-7"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[52846-56-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126609779",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:103697;CAS:52846-56-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52846-56-7]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27279053",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:103697;CAS:52846-56-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[52846-56-7]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "012543ad-28e4-48f9-b209-6bf38cf7e303",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "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": [
        "52846-56-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=52846-56-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=52846-56-7"
        }
      ],
      "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": [
        "258-221-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=258-221-5"
      ],
      "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"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard