Compound Identification
SMILES
ClC1=CC=C(OCC2=CC=C(C=C2)C(=O)NNC(=O)C(=CC2=CC=CC=C2)C#N)C=C1
InChIKey
InChIKey=RYSVHLQSLSZJAA-UHFFFAOYSA-N
Formula
C24H18ClN3O3
Mass
431.88
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
Benzoic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Chlorobenzenes Alkyl aryl ethers Aryl chlorides Carboxylic acid hydrazides Nitriles Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid hydrazide - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Organochloride - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Cyanide - 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