Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(S[C@@H]2CCCC[C@H]2NC(=O)C2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1

InChIKey

InChIKey=SQPJFKGQXMURSO-RTBURBONSA-N

Formula

C20H21N3O6S

Mass

431.46

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