Structure Information
Structure

Compound Identification

SMILES

ClC1=CC(=CNNC(=O)CC#N)C(=O)C(Br)=C1

InChIKey

InChIKey=MAEGJRXUROYOKC-UHFFFAOYSA-N

Formula

C10H7BrClN3O2

Mass

316.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Cyclic ketones - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

O-quinomethane - Alpha-haloketone - Vinylogous amide - Carboxylic acid hydrazide - Carboxylic acid derivative - Carbonitrile - Nitrile - Vinyl bromide - Vinyl chloride - Vinyl halide - Haloalkene - Bromoalkene - Chloroalkene - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Organohalogen compound - Organobromide - Organochloride - Hydrocarbon derivative - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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