Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(=CC(=C1)C(=O)ON=C1C2=CC=CC=C2C=CC2=CC=CC=C12)[N+]([O-])=O

InChIKey

InChIKey=ITXOZHOBMMSJGQ-UHFFFAOYSA-N

Formula

C22H13N3O6

Mass

415.361

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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 homopolycyclic compounds

Substituents

Nitrobenzoate - Nitrobenzene - Benzoyl - Nitroaromatic compound - Oximester - Carboxylic acid salt - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic salt - Aromatic homopolycyclic 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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