Compound Identification
SMILES
O=C1C=CC(=CNC2=CC=CC=C2C#N)C=C1
InChIKey
InChIKey=NXNLCRBUWHYYRC-UHFFFAOYSA-N
Formula
C14H10N2O
Mass
222.247
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 P-quinomethanes
-
Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
P-quinomethanes
Alternative Parents
Benzonitriles Aniline and substituted anilines Nitriles Enamines Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - P-quinomethane - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Enamine - Carbonitrile - Nitrile - Allylamine - Organic nitrogen compound - Amine - Organonitrogen compound - Organic oxide - Cyanide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available