Compound Identification
SMILES
CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(=O)(=O)C(F)(F)F)[N+]([O-])=O
InChIKey
InChIKey=ARMYDSISEBKSDW-UHFFFAOYSA-N
Formula
C13H16F3N3O6S
Mass
399.34
Taxonomic Classification
Taxonomy Tree
-
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
Sulfonylanilines Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Dialkylarylamines Sulfones Trihalomethanes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Sulfonylaniline - Nitrobenzene - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Dialkylarylamine - Sulfonyl - Sulfone - Tertiary amine - C-nitro compound - Trihalomethane - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Alkyl fluoride - Organic zwitterion - Organic salt - Hydrocarbon derivative - Halomethane - Organosulfur compound - Organonitrogen compound - Organofluoride - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic 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