Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(C#N)=C(C)C1=CC=CC=C1O

InChIKey

InChIKey=XRULGEOQRYPCDU-UHFFFAOYSA-N

Formula

C13H13NO3

Mass

231.251

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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 - Coumaric acid or derivatives - Hydroxycinnamic acid - Cinnamic acid ester - Phenylpropene - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organonitrogen 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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