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Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(=CC1=CC(OC)=C(O)C(Br)=C1)C#N

InChIKey

InChIKey=WNFFBWIYNFSLJI-UHFFFAOYSA-N

Formula

C13H12BrNO4

Mass

326.146

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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 ester - Coumaric acid or derivatives - Methoxyphenol - 2-bromophenol - Phenoxy compound - Anisole - 2-halophenol - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Fatty acid ester - Phenol - Bromobenzene - Monocyclic benzene moiety - Aryl bromide - Fatty acyl - Benzenoid - Aryl halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Carboxylic acid derivative - Ether - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organobromide - 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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