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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Aniline and substituted anilines
- Level 5 Dinitroanilines
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Subclass
Aniline and substituted anilines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
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
Phenylpiperazines N-arylpiperazines Trifluoromethylbenzenes Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Dialkylarylamines Bromobenzenes Organosulfonamides Aryl bromides Sulfonyls Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organofluorides Alkyl fluorides
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