Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(NC2=NC(=O)C(S2)=CC2=CC(=C(SCCO)C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=WSOBSBQSJJYTCG-UHFFFAOYSA-N

Formula

C19H17N3O5S2

Mass

431.48

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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 heteromonocyclic compounds

Substituents

Nitrobenzene - Methoxyaniline - Aryl thioether - Nitroaromatic compound - Phenoxy compound - Anisole - Phenol ether - Thiophenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Alkylarylthioether - Meta-thiazoline - Isothiourea - C-nitro compound - Organic nitro compound - N-acylimine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Azacycle - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Organosulfur compound - Hydrocarbon derivative - Primary alcohol - Organic salt - Amine - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Aromatic heteromonocyclic 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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