Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C(Br)=CC(C=C(C#N)C(N)=O)=C1

InChIKey

InChIKey=QRGSSWYQKGUUQU-UHFFFAOYSA-N

Formula

C11H9BrN2O3

Mass

297.108

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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

Hydroxycinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Hydroxycinnamic acid or derivatives - Cinnamic acid amide - Methoxyphenol - Phenoxy compound - Anisole - 2-bromophenol - 2-halophenol - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Phenol - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Primary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Nitrile - Carbonitrile - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.

External Descriptors

Not available

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