Compound Identification
SMILES
CC1=CC=C(NC2=CS(=O)(=O)CC2[N+]([O-])=O)C=C1
InChIKey
InChIKey=KPVQPEXNUZVRAA-UHFFFAOYSA-N
Formula
C11H12N2O4S
Mass
268.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Aminotoluenes
-
Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Aminotoluenes
Alternative Parents
Aniline and substituted anilines Sulfones Dihydrothiophenes C-nitro compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Enamines Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aniline or substituted anilines - Aminotoluene - 2,3-dihydrothiophene - Sulfone - C-nitro compound - Organic nitro compound - Enamine - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic zwitterion - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic salt - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
External Descriptors
Not available