Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC=C1C1=NN=C(O1)SCC(=O)NC1C2CC3CC(C2)CC1C3

InChIKey

InChIKey=MJKHTQQKDJENRN-UHFFFAOYSA-N

Formula

C20H22N4O4S

Mass

414.48

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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 heteropolycyclic compounds

Substituents

Nitrobenzene - Aryl thioether - Nitroaromatic compound - Alkylarylthioether - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Azacycle - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic salt - Aromatic heteropolycyclic 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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