Compound Identification
SMILES
Cc1c(Cl)c(ccc1\N=C1/O[C@H]([C@@H]2[C@H](O)CCN12)C(F)(F)F)C#N
InChIKey
InChIKey=KALFKWQLCWAXJO-UQNMOSDGSA-N
Formula
C15H13ClF3N3O2
Mass
359.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Toluenes Chlorobenzenes Aryl chlorides Pyrrolidines Oxazolidines Secondary alcohols Isoureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzonitrile - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Oxazolidine - Pyrrolidine - Isourea - Secondary alcohol - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alcohol - Hydrocarbon derivative - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available