Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC2=CC=CC=C2[N+]([O-])=O)C=CC(\C=C2\SC(NC3=CC=CC=C3Cl)=NC2=O)=C1

InChIKey

InChIKey=PEFLACRRHIHKOW-LPYMAVHISA-N

Formula

C24H18ClN3O5S

Mass

495.93

Export to:

JSON SDF CSV

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 - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Meta-thiazoline - Organic nitro compound - Isothiourea - C-nitro compound - N-acylimine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic salt - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - 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

Previous Back Next