Structure Information
Structure

Compound Identification

SMILES

CN1C(CC(=O)NC2=CC=C(C)C=C2)=NN=C1SCC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=GTKQYLUKFSAQSQ-UHFFFAOYSA-N

Formula

C19H19N5O3S

Mass

397.45

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