Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=SYFAXCYJHMWKEV-UHFFFAOYSA-N

Formula

C20H14BrClN4O6S

Mass

553.77

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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

Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Sulfonyl - Sulfone - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Hydrazone - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organobromide - Organochloride - Organonitrogen compound - Organosulfur compound - Organic zwitterion - 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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