Structure Information
Structure

Compound Identification

SMILES

CCCN(CCC#N)S(=O)(=O)CC1=CC=CC=C1[N+]([O-])=O

InChIKey

InChIKey=HIYNNYOBOMMIRW-UHFFFAOYSA-N

Formula

C13H17N3O4S

Mass

311.36

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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 - Nitroaromatic compound - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Organic oxoazanium - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic cation - 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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