Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(=O)OC1=C(C=NNC(=O)C2=CN=CC=C2)C=C(Br)C=C1

InChIKey

InChIKey=NBAXURCWHWGOSU-UHFFFAOYSA-N

Formula

C21H16BrN3O4

Mass

454.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Depsides and depsidones

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Depsides and depsidones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Depside backbone - P-methoxybenzoic acid or derivatives - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Nicotinamide - Pyridine carboxylic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).

External Descriptors

Not available

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