Compound Identification
SMILES
COC1=C(OCC([O-])=O)C=C(Cl)C(=C1)[C@H]1NC(=O)NC(C2=CC=CC=C2)=C1C(C)=O
InChIKey
InChIKey=SRZRMNUOTQXZDM-HXUWFJFHSA-M
Formula
C21H18ClN2O6
Mass
429.83
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
Phenoxyacetic acid derivatives Phenoxy compounds Anisoles Methoxybenzenes Pyrimidones Alkyl aryl ethers Chlorobenzenes Aryl chlorides Hydropyrimidines Vinylogous amides Ureas Carboxylic acid salts Ketones Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Phenoxyacetate - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Halobenzene - Alkyl aryl ether - Pyrimidone - Chlorobenzene - Hydropyrimidine - Pyrimidine - Aryl halide - Aryl chloride - 1,2,3,4-tetrahydropyrimidine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Ketone - Urea - Carboxylic acid salt - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic anion - Aromatic heteromonocyclic 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