Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C2SC(=O)N(CCNC(=O)C3=CC=CC=C3[N+]([O-])=O)C2=O)C=C1

InChIKey

InChIKey=OXMCKGJCMYJJAC-UHFFFAOYSA-N

Formula

C20H17N3O5S

Mass

411.43

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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

Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Thiazolidinedione - Toluene - Dicarboximide - Thiazolidine - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Thiocarbamic acid derivative - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - 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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