CHEBI:60706 - 3-nitrocinnamic acid

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ChEBI Name 3-nitrocinnamic acid
ChEBI ID CHEBI:60706
Definition A C-nitro compound comprising trans-cinnamic acid having a nitro group at position 3 on the phenyl ring.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H7NO4
Net Charge 0
Average Mass 193.15620
Monoisotopic Mass 193.03751
InChI InChI=1S/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/b5-4+
InChIKey WWXMVRYHLZMQIG-SNAWJCMRSA-N
SMILES OC(=O)\C=C\c1cccc(c1)[N+]([O-])=O
ChEBI Ontology
Outgoing 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 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 Sources
(2E)-3-(3-nitrophenyl)acrylic acid IUPAC
(E)-3-(3-Nitrophenyl)-2-propenoic acid ChemIDplus
Registry Numbers Types Sources
1772-76-5 CAS Registry Number ChemIDplus
2211201 Reaxys Registry Number Reaxys
Last Modified
25 January 2011