Compound Identification
SMILES
CNC1=CC=CC=C(C(=O)\C=C\C2=CC=CC=C2Cl)C1=O
InChIKey
InChIKey=PQSJMLZJMPFDFZ-ZHACJKMWSA-N
Formula
C17H14ClNO2
Mass
299.75
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
Tropones Styrenes Aryl ketones Secondary alkylarylamines Chlorobenzenes Aryl chlorides Enones Acryloyl compounds Cyclic ketones Organochlorides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Aryl ketone - Tropone - Styrene - Chlorobenzene - Secondary aliphatic/aromatic amine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Cyclic ketone - Ketone - Secondary amine - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - 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