Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(NC2=CC=CC=C2)C=CC(=C1)C(=O)OCC(=O)NCC1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=ITEYCFTWMLMZSP-UHFFFAOYSA-N

Formula

C23H19N3O7

Mass

449.419

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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 heteropolycyclic compounds

Substituents

Nitrobenzoate - Aminobenzoic acid or derivatives - Benzoate ester - Benzodioxole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Oxacycle - Organic oxoazanium - Secondary amine - Organic oxygen compound - Organic salt - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Organic cation - Aromatic heteropolycyclic 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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