Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)N=C(NC(=O)C2=CC(C)=C(C=C2)[N+]([O-])=O)S1

InChIKey

InChIKey=PYYACXDODNCQKL-UHFFFAOYSA-N

Formula

C13H13N3O3S

Mass

291.33

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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 - Nitrotoluene - Benzoic acid or derivatives - Benzamide - M-toluamide - Toluamide - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Benzoyl - Toluene - Thiazole - Heteroaromatic compound - Azole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - 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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