Structure Information
Structure

Compound Identification

SMILES

C[C@H](OC(=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O)C1=NC2=C(C(C)=C(C)S2)C(=O)N1

InChIKey

InChIKey=UYDBQIMATFVQLS-QMMMGPOBSA-N

Formula

C17H14ClN3O5S

Mass

407.83

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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 - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Nitrobenzene - Thienopyrimidine - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Organic nitro compound - Lactam - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - 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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