Compound Identification
SMILES
CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(C)(=O)=O)[N+]([O-])=O
InChIKey
InChIKey=UMKANAFDOQQUKE-UHFFFAOYSA-N
Formula
C13H19N3O6S
Mass
345.37
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
-
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
Sulfonylanilines Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Dialkylarylamines Sulfones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Sulfonylaniline - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Sulfone - Sulfonyl - C-nitro compound - Organic nitro compound - Tertiary amine - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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:82190 :
C-nitro compound
KEGG (C19064) :
Dinitroaniline herbicides