Compound Identification
SMILES
ClC1=CC=C(C=CC(=O)C2=NC3=CC=CC=C3N2)C=C1
InChIKey
InChIKey=VLOYJJMQBUMMMP-UHFFFAOYSA-N
Formula
C16H11ClN2O
Mass
282.73
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
Benzimidazoles Styrenes Aryl ketones Chlorobenzenes Aryl chlorides Imidazoles Heteroaromatic compounds Enones Acryloyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Benzimidazole - Styrene - Aryl ketone - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Aryl halide - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Imidazole - Acryloyl-group - Enone - Azole - Ketone - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen 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