Compound Identification
SMILES
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1C1=CC=C(C=C1)C#N
InChIKey
InChIKey=UHPYXFLALGEGOQ-OAHLLOKOSA-N
Formula
C16H13N3O2
Mass
279.299
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
Pyrans Vinylogous esters Ketones Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Pyran - Vinylogous ester - Ketene acetal or derivatives - Ketone - Carbonitrile - Nitrile - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen 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