Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)\C=C\C1=C(Br)C=C(Cl)C2=C1N=CC=C2

InChIKey

InChIKey=ACIQKJSBXCIWPB-ONEGZZNKSA-M

Formula

C12H6BrClNO2

Mass

311.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acids

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid - Haloquinoline - Chloroquinoline - Quinoline - Styrene - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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