Compound Identification
SMILES
CC1=C(NC2=NC=NC(NC3=CC=C(C=C3)C(F)(F)F)=C2[N+]([O-])=O)N=CC=C1
InChIKey
InChIKey=RKRRZUWYQXOTIY-UHFFFAOYSA-N
Formula
C17H13F3N6O2
Mass
390.326
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Aniline and substituted anilines Nitroaromatic compounds Aminopyridines and derivatives Aminopyrimidines and derivatives Methylpyridines Imidolactams Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Alkyl fluorides Hydrocarbon derivatives Organic salts Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Nitroaromatic compound - Aniline or substituted anilines - Aminopyridine - Aminopyrimidine - Methylpyridine - Pyridine - Pyrimidine - Imidolactam - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Amine - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available