Structure Information
Structure

Compound Identification

SMILES

ClC1=C\C(=C/NNC2=NC(NC3=CC=CC=C3)=NC(NC3=CC=CC=C3)=N2)C(=O)C(Br)=C1

InChIKey

InChIKey=PVJJFULARYUQFV-BUHFOSPRSA-N

Formula

C22H17BrClN7O

Mass

510.78

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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

2,4-diamine-s-triazine - O-quinomethane - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Monocyclic benzene moiety - 1,3,5-triazine - Triazine - Benzenoid - Alpha-haloketone - Heteroaromatic compound - Vinylogous amide - Azacycle - Secondary amine - Chloroalkene - Vinyl bromide - Vinyl chloride - Vinyl halide - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Hydrazine derivative - Amine - 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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