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1,4-dihydro-6-methoxy-7-nitroquinoxaline-2,3-dione

fo-a6a59304bec4cf0a

Identity

Type
Neutral molecule
CAS
69399-57-1
EC
614-960-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1,4-dihydro-6-methoxy-7-nitroquinoxaline-2,3-dione

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ALRTZORJZUBQGM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H7N3O5/c1-17-7-3-5-4(2-6(7)12(15)16)10-8(13)9(14)11-5/h2-3H,1H3,(H,10,13)(H,11,14)
IUPAC name chemrof:IUPAC_name 1,4-dihydro-6-methoxy-7-nitroquinoxaline-2,3-dione
Molecular formula chemrof:molecular_formula C9H7N3O5
Molecular mass chemrof:molecular_mass 237.171
Monoisotopic mass chemrof:monoisotopic_mass 237.03857
SMILES string chemrof:smiles_string COc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]

Known URLs

5

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=69399-57-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.130.676 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID801036402 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14471162 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126684945 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a818e5bb-e229-45ae-901e-fe996cd2c0f1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6d011ab3-e63d-43ab-b8c4-4bc0e32240f0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
265cc3a9-04b6-4655-991b-3a638144315a Environmental → Air → Indoor EF 3.1 kg 2
b6a37a6c-954d-4760-8b62-53196521356a Environmental → Air → Long-term EF 3.1 kg 0
80116f2e-7f14-4ddf-a329-1cf72fa0283b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d7f30512-b5c9-4579-a6cd-13cf0157578a Environmental → Air → Unknown EF 3.1 kg 2
c1cb2205-c052-4bab-b2eb-ee17c64849ae Environmental → Ground → Agricultural EF 3.1 kg 2
355e5a96-34d7-4c36-ac8a-97d3a1fb217e Environmental → Ground → Non-agricultural EF 3.1 kg 2
c3f0c356-6b37-472f-9477-4abcb6950882 Environmental → Ground → Unknown EF 3.1 kg 2
a6c85d64-2ebc-49d1-9633-78c96cfc35bb Environmental → Water → Long-term EF 3.1 kg 0
0f2cda8e-1f9d-4692-be24-5c66be42376b Environmental → Water → Ocean EF 3.1 kg 2
451db3a8-a60b-4213-9070-64006d629425 Environmental → Water → Surface water EF 3.1 kg 2
6b3e7323-ec04-430a-addb-546d8cceba56 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-a6a59304bec4cf0a",
  "prefLabel": [
    {
      "@value": "1,4-dihydro-6-methoxy-7-nitroquinoxaline-2,3-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Dihydro-6-methoxy-7-nitro-2,3-quinoxalinedione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3-Quinoxalinedione, 1,4-dihydro-6-methoxy-7-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  "properties": {
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        "C9H7N3O5"
      ],
      "attested_by": {
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      },
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      "@value": [
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        }
      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
      "provenance": {
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        ]
      },
      "attested_by": {
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    "https://w3id.org/chemrof/molecular_mass": {
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          ]
        },
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        }
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      "attested_by": {
        "237.171": [
          "rdkit_post_consensus",
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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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            "COC1=C(C=C2C(=C1)NC(=O)C(=O)N2)[N+](=O)[O-]"
          ]
        },
        {
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          "prov:hadPrimarySource": [
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        }
      ],
      "attested_by": {
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      },
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  },
  "references": [
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      "provenance": {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0f2cda8e-1f9d-4692-be24-5c66be42376b",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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  },
  "classifications": {
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=69399-57-1"
      ],
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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