Structure Information
Structure

Compound Identification

SMILES

CCCOC1=C(\C=C(/C#N)C(=O)OCCOC)C2=CC=CC=C2C=C1

InChIKey

InChIKey=BNRNBELNJRFAFQ-DTQAZKPQSA-N

Formula

C20H21NO4

Mass

339.391

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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

Not available

Direct Parent

Coumaric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Coumaric acid or derivatives - Cinnamic acid ester - Naphthalene - Phenol ether - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.

External Descriptors

Not available

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