Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)N=C2SC(=CC3=C(OCC4=CC=C(C=C4)[N+]([O-])=O)C=CC(Br)=C3)C(=O)N2C1C1=CC=CC=C1

InChIKey

InChIKey=CNKMRUWBCPICAU-UHFFFAOYSA-N

Formula

C29H22BrN3O6S

Mass

620.47

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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 - Bromobenzene - Aryl bromide - Aryl halide - Azole - Thiazole - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Isothiourea - Lactam - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - 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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