Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(CSCC1=CC=C(F)C=C1)NC1=C(C=C(C=C1)C(O)=O)[N+]([O-])=O

InChIKey

InChIKey=ZMYLCTFUCXDVGU-UHFFFAOYSA-N

Formula

C17H15FN2O6S

Mass

394.37

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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 or derivatives - Aminobenzoic acid - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Amino acid or derivatives - Amino acid - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Secondary amine - Thioether - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - 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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