Structure Information
Structure

Compound Identification

SMILES

COC1=CC(NC(=O)[C@@H](C)SC2=CC=C(C=C2)[N+]([O-])=O)=CC(OC)=C1OC

InChIKey

InChIKey=WVLISTABPQJPDE-LLVKDONJSA-N

Formula

C18H20N2O6S

Mass

392.43

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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 - Anilide - Methoxyaniline - Anisole - Phenol ether - Thiophenol ether - N-arylamide - Phenoxy compound - Aryl thioether - Methoxybenzene - Nitroaromatic compound - Alkylarylthioether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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