Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(Cl)=C(C=C1)C(=O)NCCN1C(=O)SC(=CC2=CC=C(F)C=C2)C1=O

InChIKey

InChIKey=XUELFXDEWICDAJ-UHFFFAOYSA-N

Formula

C19H13ClFN3O5S

Mass

449.84

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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 - Nitroaromatic compound - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Thiazolidinedione - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Dicarboximide - Thiazolidine - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Thiocarbamic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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