Structure Information
Structure

Compound Identification

SMILES

CCN1C(SCC2=CC=C(C=C2)[N+]([O-])=O)=NN=C1C(NC(=O)C1=CC=CC=C1Cl)C(C)C

InChIKey

InChIKey=CKLYRPQFSVGNSO-UHFFFAOYSA-N

Formula

C22H24ClN5O3S

Mass

473.98

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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 - Aryl thioether - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Thioether - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organoheterocyclic compound - Organic oxide - Organic salt - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - 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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