Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C1=CSC(NC(=O)C2=C(C=C(Cl)C=C2)[N+]([O-])=O)=N1

InChIKey

InChIKey=MMLADQCMDMXQEL-UHFFFAOYSA-N

Formula

C17H12ClN3O3S

Mass

373.81

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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

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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