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CHEBI:228713 - ethyl 3-[3,5-di(trifluoromethyl)anilino]-2-nitroacrylate

ChEBI IDCHEBI:228713
ChEBI Nameethyl 3-[3,5-di(trifluoromethyl)anilino]-2-nitroacrylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H10F6N2O4
Net Charge0
Average Mass372.221
Monoisotopic Mass372.05448
SMILESCCOC(=O)C(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N+](=O)[O-]
InChIInChI=1S/C13H10F6N2O4/c1-2-25-11(22)10(21(23)24)6-20-9-4-7(12(14,15)16)3-8(5-9)13(17,18)19/h3-6,20H,2H2,1H3
InChIKeyURLJQKLFHVTUFX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
ethyl 3-[3,5-di(trifluoromethyl)anilino]-2-nitroacrylate (CHEBI:228713) has functional parent α-amino acid (CHEBI:33704)
ethyl 3-[3,5-di(trifluoromethyl)anilino]-2-nitroacrylate (CHEBI:228713) is a organonitrogen compound (CHEBI:35352)
ethyl 3-[3,5-di(trifluoromethyl)anilino]-2-nitroacrylate (CHEBI:228713) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
ethyl 3-[3,5-bis(triluoromethyl)anilino]-2-nitroprop-2-enoate
Manual XrefsDatabases
3038290ChemSpider