Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)N=C1SC(=CC2=CC(=C(Cl)C=C2)[N+]([O-])=O)C(=O)N1CCN(C)C

InChIKey

InChIKey=WWGKYTVOQWOYFW-UHFFFAOYSA-N

Formula

C21H21ClN4O4S

Mass

460.93

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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 - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Nitroaromatic compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Thiazolidine - Organic nitro compound - Amino acid or derivatives - Isothiourea - C-nitro compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - 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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