Consensus flow list

Identity

Type
Neutral molecule
CAS
3688-53-7
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for [2-(2-furyl)-3-(5-nitro-2-furyl)]acrylamide

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LYAHJFZLDZDIOH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)
IUPAC name chemrof:IUPAC_name 2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide
Molecular formula chemrof:molecular_formula C11H8N2O5
Molecular mass chemrof:molecular_mass 248.194
Monoisotopic mass chemrof:monoisotopic_mass 248.043321
SMILES string chemrof:smiles_string NC(=O)C(=Cc1ccc([N+](=O)[O-])o1)c1ccco1

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=3688-53-7 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40859832 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0252550 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/19390 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q3267971 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1f31729e-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-9a9b-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0cb041fa-b567-463f-82d4-367cc93d84ae Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-9a9a-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9a9c-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-9a99-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9a97-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9aa0-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9a98-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9a9e-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9aa1-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9a9d-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
08a91e70-3ddc-11dd-9a9f-0050c2490048 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-ca6c628a67a120cd",
  "prefLabel": [
    {
      "@value": "[2-(2-furyl)-3-(5-nitro-2-furyl)]acrylamide",
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    }
  ],
  "altLabel": [
    {
      "@value": "(2Z)-2-(2-furyl)-3-(5-nitro-2-furyl)prop-2-enamide",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide",
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      }
    },
    {
      "@value": "2-(2-Furyl)-3-(5-nitrofuryl)acrylamide",
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    },
    {
      "@value": "2-Furanacetamide, α-[(5-nitro-2-furanyl)methylene]-",
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    },
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    },
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}

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