Structure Information
Structure

Compound Identification

SMILES

OC1=CC=C(NC(=O)C(=CC2=C(OCC3=CC=CC=C3Cl)C=CC3=CC=CC=C23)C#N)C=C1

InChIKey

InChIKey=IEPMKPSCJPJTEK-UHFFFAOYSA-N

Formula

C27H19ClN2O3

Mass

454.91

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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

Cinnamic acid amide - Coumaric acid or derivatives - Naphthalene - Anilide - N-arylamide - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Carboxylic acid derivative - Ether - Organohalogen compound - Organic oxide - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organochloride - 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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