Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)N=C1SC(=CC2=CC(Cl)=C(OCC3=CC=C(C=C3)[N+]([O-])=O)C=C2)C(=O)N1C

InChIKey

InChIKey=XJOWREPUYNYWJS-UHFFFAOYSA-N

Formula

C25H20ClN3O5S

Mass

509.96

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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 - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Thiazolidine - Organic nitro compound - Isothiourea - C-nitro compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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