Compound Identification
SMILES
CC(C)(C)ON\C(C1=C(O)C=CC(=C1)C#N)=C1\N=CC=CC1=O
InChIKey
InChIKey=CAKRMILCNUMEIG-FOCLMDBBSA-N
Formula
C17H17N3O3
Mass
311.341
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
Dihydropyridines 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Nitriles N-organohydroxylamines Azacyclic compounds Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - 1-hydroxy-2-unsubstituted benzenoid - Dihydropyridine - Phenol - Hydropyridine - Vinylogous amide - Ketone - Cyclic ketone - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - N-organohydroxylamine - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Imine - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic 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