Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(=CC1=CC(Cl)=CC(Cl)=C1O)C#N

InChIKey

InChIKey=SYJXHPDZELOUCO-UHFFFAOYSA-N

Formula

C12H9Cl2NO3

Mass

286.11

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Hydroxycinnamic acids and derivatives

Intermediate Tree Nodes

Hydroxycinnamic acid esters

Direct Parent

Coumaric acid esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Coumaric acid ester - Hydroxycinnamic acid - Cinnamic acid ester - Coumaric acid or derivatives - 2-chlorophenol - 2-halophenol - 4-halophenol - 4-chlorophenol - 1,3-dichlorobenzene - Phenol - Fatty acid ester - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Nitrile - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid.

External Descriptors

Not available

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