Structure Information
Structure

Compound Identification

SMILES

I.CSC(NC1=CC=C(Br)C=C1)=NC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=RVHLWTSUUKBTSY-UHFFFAOYSA-N

Formula

C15H12BrIN4O5S

Mass

567.15

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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

Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organic nitro compound - Isothiourea - C-nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Organohalogen compound - Organic zwitterion - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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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