Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(=O)N=NC1=CC=C(NOC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=WBDGAFOASPFJRC-UHFFFAOYSA-N

Formula

C21H16N4O6

Mass

420.381

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Nitrobenzoate - Nitrobenzene - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Nitroaromatic compound - Alkyl aryl ether - Organic nitro compound - C-nitro compound - Azo compound - Organic oxoazanium - Ether - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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