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CHEBI:234119 - nifurstyrenic acid

ChEBI IDCHEBI:234119
ChEBI Namenifurstyrenic acid
Stars
DefinitionA member of the class of benzoic acids that is benzoic acid substituted by a 2-(5-nitrofuran-2-yl)ethenyl group at position 4.
Last Modified24 April 2025
SubmitterAdnan
DownloadsMolfile
FormulaC13H9NO5
Net Charge0
Average Mass259.217
Monoisotopic Mass259.04807
SMILES[H]C(=Cc1ccc([N+](=O)[O-])o1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C13H9NO5/c15-13(16)10-4-1-9(2-5-10)3-6-11-7-8-12(19-11)14(17)18/h1-8H,(H,15,16)
InChIKeyNWSQQZAVPSDJIB-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)
nifurstyrenic acid (CHEBI:234119) is a C-nitro compound (CHEBI:35716)
nifurstyrenic acid (CHEBI:234119) is a benzoic acids (CHEBI:22723)
nifurstyrenic acid (CHEBI:234119) is a furans (CHEBI:24129)
nifurstyrenic acid (CHEBI:234119) is a monocarboxylic acid (CHEBI:25384)
nifurstyrenic acid (CHEBI:234119) is a styrenes (CHEBI:26799)
nifurstyrenic acid (CHEBI:234119) is conjugate acid of nifurstyrenate (CHEBI:234122)
Incoming Relation(s)
(E)-nifurstyrenic acid (CHEBI:234120) is a nifurstyrenic acid (CHEBI:234119)
(Z)-nifurstyrenic acid (CHEBI:234121) is a nifurstyrenic acid (CHEBI:234119)
nifurstyrenate (CHEBI:234122) is conjugate base of nifurstyrenic acid (CHEBI:234119)
IUPAC Name 
4-[2-(5-nitrofuran-2-yl)ethenyl]benzoic acid
Synonym  Source
β-(5-nitro-2-furyl)-p-carboxystyreneChEBI
Registry NumbersSources
CAS:1534-38-9ChEBI