Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(\C#N)=C1/NC(=O)C2=C1C=CC(Br)=C2

InChIKey

InChIKey=YXAIMIBWUMTLTG-KHPPLWFESA-N

Formula

C13H9BrN2O3

Mass

321.13

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoindoles and derivatives

Subclass

Isoindolines

Intermediate Tree Nodes

Not available

Direct Parent

Isoindolones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoindolone - Isoindole - Aryl bromide - Aryl halide - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.

External Descriptors

Not available

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