Compound Identification
SMILES
COC1=C(C=CC(OCC(N)=O)=C1)C(=O)\C=C\C1=CC(Cl)=CC=C1
InChIKey
InChIKey=YXDXXIQBNOCHAE-VMPITWQZSA-N
Formula
C18H16ClNO4
Mass
345.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Cinnamic acids and derivatives Styrenes Phenoxy compounds Anisoles Methoxybenzenes Aryl ketones Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Acryloyl compounds Enones Primary carboxylic acid amides Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Cinnamic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl ketone - Phenol ether - Styrene - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Carboxamide group - Ketone - Primary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available