Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(=CC(=C1N1CCN(CC1)S(=O)(=O)C1=CC=C(Br)C=C1)[N+]([O-])=O)C(F)(F)F

InChIKey

InChIKey=PMWVRJJGYBNDHU-UHFFFAOYSA-N

Formula

C17H14BrF3N4O6S

Mass

539.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Aniline and substituted anilines

Intermediate Tree Nodes

Not available

Direct Parent

Dinitroanilines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Dinitroaniline - Phenylpiperazine - N-arylpiperazine - Benzenesulfonamide - Trifluoromethylbenzene - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - C-nitro compound - Tertiary amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organobromide - Amine - Organohalogen compound - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Alkyl halide - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.

External Descriptors

Not available

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