Structure Information
Structure

Compound Identification

SMILES

Br.COC1=CC=C(C=C1)C1=CSC(=NC2=CC=CC=C2)N1CC(O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=KHDAVVWQNWURHQ-UHFFFAOYSA-N

Formula

C24H22BrN3O4S

Mass

528.42

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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 - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azole - Heteroaromatic compound - Thiazole - Isothiourea - C-nitro compound - Secondary alcohol - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Organic oxoazanium - Azacycle - Hydrobromide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic oxide - Aromatic alcohol - 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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