Compound Identification
SMILES
CN\C(C)=C(/C(O)=O)C(=O)C=C(Cl)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=JSNVWINNTDOGNZ-XZAPYMRBSA-N
Formula
C14H13Cl2NO3
Mass
314.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Medium-chain keto acids and derivatives Styrenes Beta-keto acids and derivatives Branched fatty acids Chlorobenzenes Halogenated fatty acids Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Beta-hydroxy ketones Unsaturated fatty acids Acryloyl compounds Vinylogous halides Vinylogous amides Enones Amino acids Monocarboxylic acids and derivatives Chloroalkenes Carboxylic acids Vinyl chlorides Dialkylamines Enamines Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Medium-chain keto acid - Styrene - Halogenated fatty acid - Halobenzene - Chlorobenzene - Branched fatty acid - Beta-keto acid - Keto acid - Aryl chloride - Aryl halide - Fatty acyl - Unsaturated fatty acid - Monocyclic benzene moiety - Beta-hydroxy ketone - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Vinylogous halide - Vinylogous amide - Amino acid - Ketone - Amino acid or derivatives - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Enamine - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available