Compound Identification
SMILES
[O-][N+](=O)C1=C(NC2=CC=C(C=C2)C(F)(F)F)N=CN=C1NC1=CC=CC=C1Cl
InChIKey
InChIKey=NBQSWWHRVAGULS-UHFFFAOYSA-N
Formula
C17H11ClF3N5O2
Mass
409.75
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 Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organochlorides Alkyl fluorides Hydrocarbon derivatives Organic salts Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrimidine - Imidolactam - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Secondary amine - Azacycle - Organic oxoazanium - Organic zwitterion - Organofluoride - Organochloride - Organonitrogen compound - Organohalogen compound - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organic salt - 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