Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC=C1CSCC(NC1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O)C(O)=O

InChIKey

InChIKey=QYXWRPWANXDQJJ-UHFFFAOYSA-N

Formula

C18H18N2O6S

Mass

390.41

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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 - Cysteine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Aminobenzoic acid - Aminobenzoic acid or derivatives - Nitrobenzene - Benzoic acid - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Toluene - C-nitro compound - Amino acid - Organic nitro compound - Amino acid or derivatives - Dialkylthioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Secondary amine - Thioether - Organic oxide - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Amine - Organic cation - 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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