Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(C(=O)C(O)=O)C2=NC3=CC=CC=C3C=C2)C=C(Br)C=C1

InChIKey

InChIKey=RIKJAKAUMIEMKS-UHFFFAOYSA-N

Formula

C20H14BrNO4

Mass

412.239

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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 - Quinoline - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Halobenzene - Alkyl aryl ether - Bromobenzene - Alpha-branched alpha,beta-unsaturated-ketone - Aryl bromide - Benzenoid - Alpha-keto acid - Pyridine - Keto acid - Aryl halide - Monocyclic benzene moiety - Acryloyl-group - Alpha-hydroxy ketone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Ketone - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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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