Structure Information
Structure

Compound Identification

SMILES

CC1=C(Br)C=CC(=C1)N1C(SCC1=O)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=MGWMWPOEYRJJDM-UHFFFAOYSA-N

Formula

C16H13BrN2O3S

Mass

393.26

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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 - Nitroaromatic compound - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Dialkylthioether - Organic 1,3-dipolar compound - Thioether - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organic oxide - Organohalogen compound - Organobromide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - 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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