Structure Information
Structure

Compound Identification

SMILES

CS(=O)(=O)C1=C(NN=C2C=CC(=O)C=C2)C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=MOVLLMHCECPQPW-UHFFFAOYSA-N

Formula

C13H11N3O5S

Mass

321.31

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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

Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Phenylhydrazine - Sulfone - Sulfonyl - Ketone - C-nitro compound - Cyclic ketone - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic salt - 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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