Structure Information
Structure

Compound Identification

SMILES

OC1=C(NC2=C(NC3=CC=CC=C3Br)C(=O)C2=O)C=CC(=C1)C#N

InChIKey

InChIKey=MMLYUYVMWHQPCZ-UHFFFAOYSA-N

Formula

C17H10BrN3O3

Mass

384.189

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Aminophenol - O-aminophenol - Benzonitrile - 2-bromoaniline - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Primary aromatic amine - Aryl bromide - Vinylogous amide - Cyclic ketone - Secondary amine - Carbonitrile - Nitrile - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Cyanide - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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