Compound Identification
SMILES
OC1(CC(=O)C=CC2=CC=CC=C2)C(=O)NC2=CC(Cl)=CC(Cl)=C12
InChIKey
InChIKey=GHXRGSAUNOTDED-UHFFFAOYSA-N
Formula
C18H13Cl2NO3
Mass
362.21
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
Indolines Styrenes b'-hydroxy-alpha,beta-unsaturated ketones Beta-hydroxy ketones Aryl chlorides Tertiary alcohols Enones Acryloyl compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Indole or derivatives - Dihydroindole - Styrene - B'-hydroxy-alpha,beta-unsaturated-ketone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Beta-hydroxy ketone - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Carboxamide group - Secondary carboxylic acid amide - Ketone - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic 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