Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(=CNNC2=NC(=NC(NC3=CC(Br)=CC=C3)=N2)N2CCOCC2)C(=O)C(Br)=C1

InChIKey

InChIKey=PAGGYVHZDSICDG-UHFFFAOYSA-N

Formula

C20H18Br2N8O4

Mass

594.224

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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 - Dialkylarylamine - O-quinomethane - Amino-1,3,5-triazine - Aminotriazine - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Triazine - Aryl halide - Monocyclic benzene moiety - Oxazinane - 1,3,5-triazine - Morpholine - Alpha-haloketone - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - C-nitro compound - Oxacycle - Azacycle - Bromoalkene - Dialkyl ether - Ether - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl bromide - Organic salt - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Amine - Hydrazine derivative - Organic nitrogen compound - Organic zwitterion - 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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