Structure Information
Structure

Compound Identification

SMILES

CN1C(CCNC(=O)C2=CC=CC=C2F)=NN=C1SCC(=O)NC1=C(C)C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=GFWVUEZLHFFQEE-UHFFFAOYSA-N

Formula

C21H21FN6O4S

Mass

472.5

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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 - Nitrobenzene - Anilide - Nitrotoluene - Benzamide - Benzoyl - N-arylamide - Nitroaromatic compound - Aryl thioether - Toluene - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Heteroaromatic compound - 1,2,4-triazole - Vinylogous halide - Azole - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organoheterocyclic compound - Organic zwitterion - Organic salt - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - 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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