Compound Identification
SMILES
OC1=CC=CC=C1NC(=CC(=O)C(Cl)(Cl)Cl)C1=CC=C(Br)C=C1
InChIKey
InChIKey=SCGZNAYQVMRDPU-UHFFFAOYSA-N
Formula
C16H11BrCl3NO2
Mass
435.52
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
o-Aminophenols Styrenes Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Bromobenzenes Aryl bromides Vinylogous amides Acryloyl compounds Alpha-chloroketones Enones Enamines Hydrocarbon derivatives Alkyl chlorides Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Styrene - Aniline or substituted anilines - O-aminophenol - Aminophenol - Halobenzene - Bromobenzene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Vinylogous amide - Alpha,beta-unsaturated ketone - Alpha-chloroketone - Enone - Acryloyl-group - Alpha-haloketone - Ketone - Enamine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl chloride - 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