Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1=CC(=C(CSC23CC4CC(CC(C4)C2)C3)C=C1)[N+]([O-])=O

InChIKey

InChIKey=MQEMMIUSZRSXGZ-UHFFFAOYSA-N

Formula

C18H22N2O3S

Mass

346.45

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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 homopolycyclic compounds

Substituents

Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Carboxamide group - Organic nitro compound - C-nitro compound - Primary carboxylic acid amide - Carboxylic acid derivative - Dialkylthioether - Organic oxoazanium - Organic 1,3-dipolar compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organic nitrogen compound - Aromatic homopolycyclic 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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