Compound Identification
SMILES
NCC1CCC(CNC2=NC(NCC3=C(Cl)C=CC(=C3)C(F)(F)F)=NC=C2[N+]([O-])=O)CC1
InChIKey
InChIKey=LOVBNBSXOUTHEG-UHFFFAOYSA-N
Formula
C20H24ClF3N6O2
Mass
472.9
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
Benzylamines Nitroaromatic compounds Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organic salts Organic zwitterions Organochlorides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Nitroaromatic compound - Benzylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organofluoride - Organochloride - Amine - Organohalogen compound - Organic salt - Primary aliphatic amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Primary amine - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - 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