Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC(=O)C2=C(C=CC(Cl)=C2)[N+]([O-])=O)C2=CC=CC=C2S1

InChIKey

InChIKey=GLHKGTJSDLPONS-UHFFFAOYSA-N

Formula

C17H11ClN2O5S

Mass

390.79

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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

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzamide - Benzothiophene - 1-benzothiophene - Nitrobenzene - Nitroaromatic compound - Benzoyl - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous amide - Methyl ester - Thiophene - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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