Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(NC(=O)COC(=O)C2=CC(=C(C=C2)S(C)(=O)=O)[N+]([O-])=O)SC2=C1CCC(C)C2

InChIKey

InChIKey=VUFWFAZMXBWQQF-UHFFFAOYSA-N

Formula

C22H24N2O9S2

Mass

524.56

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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 - Nitrobenzene - Benzenesulfonyl group - Benzoyl - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - N-arylamide - Vinylogous amide - Heteroaromatic compound - Thiophene - Sulfonyl - Sulfone - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - C-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 - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic salt - 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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