Structure Information
Structure

Compound Identification

SMILES

CN1C=NC(CS(=O)(=O)C2=CC=C(C)C=C2)=C1[N+]([O-])=O

InChIKey

InChIKey=JRGRHDLNNHUDNS-UHFFFAOYSA-N

Formula

C12H13N3O4S

Mass

295.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Not available

Direct Parent

Tosyl compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Tosyl compound - Benzenesulfonyl group - Nitroaromatic compound - Nitroimidazole - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Sulfone - Sulfonyl - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom).

External Descriptors

Not available

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