Compound Identification
SMILES
COC1=C(OC)C=C(C=CC(=O)C2=CC3=CC=CC=C3N=C2Cl)C=C1
InChIKey
InChIKey=QOKQRHLZLMUXAQ-UHFFFAOYSA-N
Formula
C20H16ClNO3
Mass
353.8
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
Chloroquinolines Dimethoxybenzenes Styrenes Phenoxy compounds Anisoles Aryl ketones 2-halopyridines Alkyl aryl ethers Aryl chlorides Vinylogous halides Acryloyl compounds Heteroaromatic compounds Enones Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Chloroquinoline - Haloquinoline - Quinoline - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Styrene - Aryl ketone - Methoxybenzene - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Benzenoid - Pyridine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous halide - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Organoheterocyclic compound - Azacycle - Ether - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - 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