Structure Information
Structure

Compound Identification

SMILES

CCCCS(=O)(=O)C1=C(C=C(C(=O)N=C(N)N)C(C)=C1)[N+]([O-])=O

InChIKey

InChIKey=XKNACMKPUGMXRT-UHFFFAOYSA-N

Formula

C13H18N4O5S

Mass

342.37

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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 homomonocyclic compounds

Substituents

Benzoic acid or derivatives - Benzenesulfonyl group - O-toluamide - Toluamide - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Acylguanidine - Toluene - Sulfone - Sulfonyl - Guanidine - C-nitro compound - Organic nitro compound - Carboximidamide - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic zwitterion - Aromatic homomonocyclic 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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