Compound Identification
SMILES
CCCN(CCC)C1=C(C=C(C(N)=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
InChIKey
InChIKey=RSVPPPHXAASNOL-UHFFFAOYSA-N
Formula
C13H17F3N4O4
Mass
350.298
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
-
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
Trifluoromethylbenzenes Nitrobenzenes Nitroaromatic compounds Dialkylarylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - C-nitro compound - Tertiary amine - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Alkyl fluoride - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Primary amine - Organonitrogen compound - Organofluoride - Organopnictogen compound - 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
CHEBI:82032 :
C-nitro compound
KEGG (C18884) :
Dinitroaniline herbicides