Compound Identification
SMILES
Cl\C(=C/C1=CC=CC=C1)C(=O)C1=CC=CN1
InChIKey
InChIKey=HSDWHEWHVSGKHZ-LUAWRHEFSA-N
Formula
C13H10ClNO
Mass
231.68
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
Aryl ketones Substituted pyrroles Benzene and substituted derivatives Alpha-branched alpha,beta-unsaturated ketones Heteroaromatic compounds Enones Alpha-chloroketones Acryloyl compounds Vinyl chlorides Chloroalkenes Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Aryl ketone - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Alpha-haloketone - Alpha-chloroketone - Acryloyl-group - Enone - Heteroaromatic compound - Pyrrole - Alpha,beta-unsaturated ketone - Ketone - Azacycle - Chloroalkene - Haloalkene - Vinyl chloride - Vinyl halide - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic 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