Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(Cl)C=C(C=C1)C1=CC=C(O1)C=C1SC(NC2=CC=CC=C2)=NC1=O

InChIKey

InChIKey=KMVLDKQZXPNHKT-UHFFFAOYSA-N

Formula

C20H12ClN3O4S

Mass

425.84

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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 - Nitroaromatic compound - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Furan - Heteroaromatic compound - Meta-thiazoline - Isothiourea - C-nitro compound - N-acylimine - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Carbonyl group - Organochloride - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Organic salt - Organic zwitterion - 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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