Structure Information
Structure

Compound Identification

SMILES

CCS(=O)(=O)OC1=CC=C(CN(C(C)C)C(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=BPUFTJQTRNYJNH-UHFFFAOYSA-N

Formula

C19H22N2O6S

Mass

406.45

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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

Benzamide - Benzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Sulfonic acid ester - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic nitro compound - Carboxamide group - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur 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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