Structure Information
Structure

Compound Identification

SMILES

CCC1CCC2=C(C1)SC(NC(=O)C1=C(Cl)C=CC(=C1)[N+]([O-])=O)=C2C(=O)OC

InChIKey

InChIKey=GNHSERZEENEPPY-UHFFFAOYSA-N

Formula

C19H19ClN2O5S

Mass

422.88

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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

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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