Structure Information
Structure

Compound Identification

SMILES

COC1=C\C(=C\NNC(=O)C2=NN(CC3=CC(Br)=CC=C3)C=C2)C(=O)C(=C1)[N+]([O-])=O

InChIKey

InChIKey=ZNXAQOXKAFUBLW-RAXLEYEMSA-N

Formula

C19H16BrN5O5

Mass

474.271

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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

Pyrazole-5-carboxamide - O-quinomethane - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Carboxylic acid hydrazide - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic salt - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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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