Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)C1CCC2=C(C1)SC(NC(=O)C1=C(C=C(Cl)C=C1)[N+]([O-])=O)=C2C(N)=O

InChIKey

InChIKey=OEZBCTQDIGERBB-UHFFFAOYSA-N

Formula

C20H22ClN3O4S

Mass

435.92

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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 heteropolycyclic compounds

Substituents

4-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Organic nitro compound - C-nitro compound - Primary carboxylic acid amide - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxoazanium - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organic salt - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic 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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