Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C\C(=C\NC2=NC=NN2)C(=O)C=C1

InChIKey

InChIKey=GRLLSLLOIQVECS-XQRVVYSFSA-N

Formula

C9H7N5O3

Mass

233.187

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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

O-quinomethane - Azole - 1,2,4-triazole - Heteroaromatic compound - Vinylogous amide - C-nitro compound - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Enamine - Organoheterocyclic compound - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Amine - Organic nitrogen compound - 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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