Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1=CC(C=C(C#N)C(=O)NC2=CC=CC=C2Br)=CC(=C1O)C(C)(C)C

InChIKey

InChIKey=RNNPLJJAAIMPGY-UHFFFAOYSA-N

Formula

C24H27BrN2O2

Mass

455.396

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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 homomonocyclic compounds

Substituents

Cinnamic acid amide - Coumaric acid or derivatives - Anilide - Phenylpropane - N-arylamide - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic 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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