Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(\NC=O)=C(/Br)C1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=QFJVVAAPYXOGEB-ZHACJKMWSA-N

Formula

C12H10BrNO5

Mass

328.118

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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 heteropolycyclic compounds

Substituents

Coumaric acid or derivatives - N-formyl-alpha-amino acid - N-formyl-alpha amino acid or derivatives - Cinnamic acid ester - Alpha-amino acid or derivatives - Benzodioxole - Fatty acid ester - Fatty acyl - Benzenoid - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl bromide - Vinyl halide - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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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