Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC1=CC=C(NC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=XLBUQCWQQVLTBJ-UHFFFAOYSA-N
Formula
C19H16N4O6S
Mass
428.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Aniline and substituted anilines
- Level 5 Dinitroanilines
-
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
P-toluenesulfonamides Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Primary aromatic amines Organosulfonamides Aminosulfonyl compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - P-toluenesulfonamide - Benzenesulfonamide - Sulfanilide - Tosyl compound - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Toluene - Primary aromatic amine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Secondary amine - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic cation - 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