Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=CC(=C1)C(=O)OCCN(C1=NS(=O)(=O)C2=CC=CC=C12)C1=CC=CC=C1Cl)[N+]([O-])=O

InChIKey

InChIKey=ABMGQSCZVIGJOH-UHFFFAOYSA-N

Formula

C23H18ClN3O6S

Mass

499.92

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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 - Benzoate ester - 1,2-benzothiazole - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Imidolactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Amidine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Organic salt - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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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