Compound Identification
SMILES
CC(C)(C)C(=O)C1=CNC2=C1N\C(C=N2)=C1\C=CC=CC1=O
InChIKey
InChIKey=LQKISJXVCCPYEI-BENRWUELSA-N
Formula
C17H17N3O2
Mass
295.342
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 O-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
O-quinomethanes
Alternative Parents
Aryl alkyl ketones Substituted pyrroles Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Enamines Azacyclic compounds Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-quinomethane - Aryl ketone - Aryl alkyl ketone - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous amide - Enamine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Amine - Imine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available