Compound Identification
SMILES
FC1=NC=CC(CNC(=O)OC2=CN=C(NC3=CC(Cl)=CC=C3)N=C2C(F)(F)F)=C1
InChIKey
InChIKey=PPIUQDBWGRMRCZ-UHFFFAOYSA-N
Formula
C18H12ClF4N5O2
Mass
441.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Aniline and substituted anilines
Alternative Parents
Chlorobenzenes Aminopyrimidines and derivatives 2-halopyridines Aryl fluorides Aryl chlorides Heteroaromatic compounds Carbamate esters Secondary amines Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - 2-halopyridine - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Pyrimidine - Heteroaromatic compound - Carbamic acid ester - Secondary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
External Descriptors
Not available