Structure Information
Structure

Compound Identification

SMILES

CCN(N\C=C1\C=C(Br)C=CC1=O)C1=C(C#N)C(C)=CC(Cl)=N1

InChIKey

InChIKey=URZOSSNWGCXYPG-LUAWRHEFSA-N

Formula

C16H14BrClN4O

Mass

393.67

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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

Aromatic heteromonocyclic compounds

Substituents

O-quinomethane - 3-pyridinecarbonitrile - 2-halopyridine - Methylpyridine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Vinylogous amide - Heteroaromatic compound - Azacycle - Alkylhydrazine - Carbonitrile - Nitrile - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Haloalkene - Bromoalkene - Organochloride - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrazine derivative - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organobromide - Aromatic heteromonocyclic 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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