Structure Information
Structure

Compound Identification

SMILES

CCN1C(CC(=O)NC2=CC(Cl)=C(C)C=C2)=NN=C1SCC(=O)NC1=C(C)C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=PNRFJFNXPAOOKU-UHFFFAOYSA-N

Formula

C22H23ClN6O4S

Mass

502.97

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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