Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)N=C2SC=CN2C1C1=CC(Cl)=C(OCC2=CC(=CC=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=VFWIUJOFMPREDU-UHFFFAOYSA-N

Formula

C23H20ClN3O5S

Mass

485.94

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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 - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - 1,6-dihydropyrimidine - Hydropyrimidine - Alpha,beta-unsaturated carboxylic ester - Meta-thiazoline - Enoate ester - Isothiourea - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Carboxylic acid derivative - Azacycle - Enamine - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboximidamide - Organic salt - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic zwitterion - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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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