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CHEBI:114927 - 2-chloro-5-[5-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid

ChEBI IDCHEBI:114927
ChEBI Name2-chloro-5-[5-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid
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FormulaC22H15ClN2O5
Net Charge0
Average Mass422.824
Monoisotopic Mass422.06695
SMILESCOc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1
InChIInChI=1S/C22H15ClN2O5/c1-29-16-5-3-15(4-6-16)25-21(26)14(12-24)10-17-7-9-20(30-17)13-2-8-19(23)18(11-13)22(27)28/h2-11H,1H3,(H,25,26)(H,27,28)
InChIKeyHVFQACVXHGQGHH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-chloro-5-[5-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid (CHEBI:114927) is a benzoic acids (CHEBI:22723)
2-chloro-5-[5-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid (CHEBI:114927) is a organohalogen compound (CHEBI:17792)
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