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N-(4-carbamoylphenyl)-4-nitrobenzamide

fo-e61edc755f0a59ec

Identity

Type
Neutral molecule
CAS
93839-21-5
EC
298-791-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(4-carbamoylphenyl)-4-nitrobenzamide

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FANLHXKNWWSLIG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H11N3O4/c15-13(18)9-1-5-11(6-2-9)16-14(19)10-3-7-12(8-4-10)17(20)21/h1-8H,(H2,15,18)(H,16,19)
IUPAC name chemrof:IUPAC_name N-(4-carbamoylphenyl)-4-nitrobenzamide
Molecular formula chemrof:molecular_formula C14H11N3O4
Molecular mass chemrof:molecular_mass 285.259
Monoisotopic mass chemrof:monoisotopic_mass 285.074956
SMILES string chemrof:smiles_string NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1

Known URLs

7

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=93839-21-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.089.768 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80239730 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QF6HT8H3R4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J317.603G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/689161 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q83122160 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
76eb46f5-ff3b-477f-b4c9-ca5670a17c00 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6e933553-9a36-4d6f-8634-a2caccc5fd5b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
751fb4fa-1871-431f-8f68-fe18a2c4ce7f Environmental → Air → Indoor EF 3.1 kg 2
42ace7cf-64b4-4638-a27a-c42a76906f8c Environmental → Air → Long-term EF 3.1 kg 0
7835b88c-afb5-49ee-a7e2-ea9c0e84af04 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e8aa90c2-18bc-4aa7-8907-958333d57d90 Environmental → Air → Unknown EF 3.1 kg 2
ec458ee6-dd8d-4a11-a2ab-355d19a5b025 Environmental → Ground → Agricultural EF 3.1 kg 2
4f45b31e-513b-4aa7-923f-9246cc986886 Environmental → Ground → Non-agricultural EF 3.1 kg 2
932f31b4-071a-4c05-b400-09cd2f21975e Environmental → Ground → Unknown EF 3.1 kg 2
c043b2dd-5898-4fe3-b290-b4ec9508543a Environmental → Water → Long-term EF 3.1 kg 0
0ede1fe6-e1c8-40c9-9eff-2f668f8b5a9b Environmental → Water → Ocean EF 3.1 kg 2
a2d71bab-229f-4f44-97df-3bc0635538a3 Environmental → Water → Surface water EF 3.1 kg 2
578a4492-bccf-40e2-a837-c7f5248cf886 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-e61edc755f0a59ec",
  "prefLabel": [
    {
      "@value": "N-(4-carbamoylphenyl)-4-nitrobenzamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzamide, N-[4-(aminocarbonyl)phenyl]-4-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=93839-21-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-[4-(Aminocarbonyl)phenyl]-4-nitrobenzamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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      "@value": [
        "C14H11N3O4"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        },
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          "prov:wasAttributedTo": "consensus-flow-list",
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    "https://w3id.org/chemrof/inchi2d_string": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
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        ]
      },
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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          ]
        },
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      },
      "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": [
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "285.074956": [
          "rdkit_post_consensus",
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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        "prov:wasDerivedFrom": "pubchem.by_cas[93839-21-5]"
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[93839-21-5]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0ede1fe6-e1c8-40c9-9eff-2f668f8b5a9b",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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  "origin_qualifier": null,
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  "@type": [
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  ]
}

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