Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CNNC(=O)C[N+]2=CC(=CN2)[N+]([O-])=O)C=C(Br)C1=O

InChIKey

InChIKey=AOFZXRLMFDCJDS-UHFFFAOYSA-O

Formula

C13H13BrN5O5

Mass

399.18

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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

P-quinomethanes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - P-quinomethane - Alpha-haloketone - Azole - Heteroaromatic compound - Pyrazole - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Bromoalkene - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Haloalkene - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic salt - Organic nitrogen compound - Organobromide - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.

External Descriptors

Not available

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