Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C\C(=C\NNC2=NC(NC3=CC=CC=C3)=NC(NC3=CC=CC=C3)=N2)C(=O)C(Br)=C1

InChIKey

InChIKey=UMPSMZUNMUWSQO-YPKPFQOOSA-N

Formula

C22H17BrN8O3

Mass

521.335

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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 - Aniline or substituted anilines - O-quinomethane - Amino-1,3,5-triazine - Aminotriazine - Monocyclic benzene moiety - 1,3,5-triazine - Triazine - Benzenoid - Alpha-haloketone - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Organic nitro compound - Azacycle - Bromoalkene - Organic oxoazanium - Secondary amine - Haloalkene - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Hydrocarbon derivative - Hydrazine derivative - Amine - Organic zwitterion - Organic nitrogen compound - Organohalogen compound - Organic oxide - Organobromide - Organic salt - 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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