Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=C(NC(=O)[C@H](C)SC2=CC=C(C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=QYVRXMCPMZHZAO-LBPRGKRZSA-N

Formula

C17H18N2O4S

Mass

346.4

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