Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=CC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O)C=C(Br)C=C1

InChIKey

InChIKey=JSZRGGTYFXSBMG-UHFFFAOYSA-N

Formula

C18H13BrN2O4

Mass

401.216

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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

Cinnamic acid amide - Coumaric acid or derivatives - Phthalimide - Isoindolone - Isoindole or derivatives - Isoindole - Isoindoline - Phenoxy compound - Anisole - Methoxybenzene - N-arylamide - Styrene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Carboxylic acid imide - Carboxylic acid imide, n-unsubstituted - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - 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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