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CHEBI:60706 - 3-nitrocinnamic acid

ChEBI IDCHEBI:60706
ChEBI Name3-nitrocinnamic acid
Stars
DefinitionA C-nitro compound comprising trans-cinnamic acid having a nitro group at position 3 on the phenyl ring.
Last Modified25 January 2011
Submitterzjosephs
DownloadsMolfile
FormulaC9H7NO4
Net Charge0
Average Mass193.158
Monoisotopic Mass193.03751
SMILESO=C(O)/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/b5-4+
InChIKeyWWXMVRYHLZMQIG-SNAWJCMRSA-N
ChEBI Ontology
Outgoing Relation(s)
3-nitrocinnamic acid (CHEBI:60706) has functional parent trans-cinnamic acid (CHEBI:35697)
3-nitrocinnamic acid (CHEBI:60706) is a C-nitro compound (CHEBI:35716)
Incoming Relation(s)
3-nitrocinnamoyl group (CHEBI:60677) is substituent group from 3-nitrocinnamic acid (CHEBI:60706)
IUPAC Name 
(2E)-3-(3-nitrophenyl)prop-2-enoic acid
Synonyms  Source
(E)-3-(3-Nitrophenyl)-2-propenoic acidChemIDplus
(2E)-3-(3-nitrophenyl)acrylic acidIUPAC
Registry NumbersSources
Reaxys:2211201Reaxys
CAS:1772-76-5ChemIDplus