Structure Information
Structure

Compound Identification

SMILES

CN1C(C=NNC2=C(C=C(C=C2)S(C)(=O)=O)[N+]([O-])=O)=CN=C1[N+]([O-])=O

InChIKey

InChIKey=ULPBSCQSNZOMCY-UHFFFAOYSA-N

Formula

C12H12N6O6S

Mass

368.32

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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

Benzenesulfonyl group - Nitrobenzene - 1,2,5-trisubstituted-imidazole - Nitroaromatic compound - Phenylhydrazine - Trisubstituted imidazole - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Sulfone - Sulfonyl - C-nitro compound - Organic nitro compound - Hydrazone - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organosulfur compound - Organic salt - Organic oxide - Hydrocarbon derivative - 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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