Compound Identification
SMILES
CC1=CC=CC=C1NC(=O)C(=C\C1=CC(O)=C(O)C(Cl)=C1)\C#N
InChIKey
InChIKey=YZMHQNMXELXDEJ-WUXMJOGZSA-N
Formula
C17H13ClN2O3
Mass
328.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxycinnamic acids and derivatives
Alternative Parents
Cinnamic acid amides 3-chlorocatechols Anilides O-chlorophenols N-arylamides M-chlorophenols Toluenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Nitriles Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid amide - Hydroxycinnamic acid or derivatives - 3-chlorocatechol - Chlorocatechol - Anilide - Catechol - 3-halophenol - 2-halophenol - 3-chlorophenol - N-arylamide - 2-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Toluene - Phenol - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.
External Descriptors
Not available