Compound Identification
SMILES
ClC1=CC=C(\C=C\C(=O)C2=C3C=CC(Br)=CC3=CO2)C=C1
InChIKey
InChIKey=HFQQIQBSCDZGNE-FPYGCLRLSA-N
Formula
C17H10BrClO2
Mass
361.62
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
Isobenzofurans Styrenes Aryl ketones Chlorobenzenes Aryl chlorides Aryl bromides Heteroaromatic compounds Furans Enones Acryloyl compounds Oxacyclic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Isobenzofuran - Aryl ketone - Styrene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Heteroaromatic compound - Enone - Furan - Alpha,beta-unsaturated ketone - Ketone - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organooxygen 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