Structure Information
Structure

Compound Identification

SMILES

CC1=C(CS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)C(C)(C)CC(Br)C1=O

InChIKey

InChIKey=RIYSWLQHVLTIMV-UHFFFAOYSA-N

Formula

C16H18BrNO5S

Mass

416.29

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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 homomonocyclic compounds

Substituents

Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Cyclohexenone - Alpha-haloketone - Sulfone - Sulfonyl - Ketone - C-nitro compound - Organic nitro compound - Cyclic ketone - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Alkyl bromide - Alkyl halide - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic cation - Aromatic homomonocyclic 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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