Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(=C1)C(=O)N1CCN=C1SCC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=JWYNIXBIXKBYLH-UHFFFAOYSA-N

Formula

C18H17N3O4S

Mass

371.41

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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

Benzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - 2-imidazoline - Isothiourea - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Carboximidamide - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic cation - 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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