Compound Identification
SMILES
CC(C)[C@@H]1OC(=NC2=C(C)C(Cl)=C(C=C2)C#N)N2CC[C@@H](O)[C@@H]12
InChIKey
InChIKey=MSKXRVDXLRVKCB-KBMXLJTQSA-N
Formula
C17H20ClN3O2
Mass
333.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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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 Tertiary amines Secondary alcohols Isoureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzonitrile - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Oxazolidine - Pyrrolidine - Isourea - Secondary alcohol - Tertiary amine - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Amine - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - 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