Structure Information
Structure

Compound Identification

SMILES

CCCOC1=CC=C(C=C1)C1=CSC(NC(=O)C2=C(Cl)C=CC(=C2)[N+]([O-])=O)=N1

InChIKey

InChIKey=JEDHIXTWUWRCKS-UHFFFAOYSA-N

Formula

C19H16ClN3O4S

Mass

417.86

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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 heteromonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Vinylogous halide - Thiazole - Heteroaromatic compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic salt - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic 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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