Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(=O)\C=C(/NNC1=C2C=C(Br)C=CC2=NC1=O)C1=CC=CC=C1

InChIKey

InChIKey=PLCFFLGMDVWSRH-ZROIWOOFSA-N

Formula

C18H12BrN3O4

Mass

414.215

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Indole or derivatives - Styrene - Alpha-keto acid - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Keto acid - Acryloyl-group - Alpha-hydroxy ketone - Vinylogous amide - Alpha,beta-unsaturated ketone - Enone - N-acylimine - Ketone - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organohalogen compound - Organobromide - Hydrazine derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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