Structure Information
Structure

Compound Identification

SMILES

CC(C)OC(=O)C1=C(C)N=C2SC(=CC3=CC(=C(Br)C=C3)[N+]([O-])=O)C(=O)N2C1C1=CC=C(Cl)C=C1

InChIKey

InChIKey=AOTUZNBGGKZLED-UHFFFAOYSA-N

Formula

C24H19BrClN3O5S

Mass

576.85

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