Compound Identification
SMILES
COC1=C\C(=C\NNC2=CC=CC=N2)C(=O)C=C1
InChIKey
InChIKey=BHLYMASGSDEFCQ-KTKRTIGZSA-N
Formula
C13H13N3O2
Mass
243.266
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
Pyridines and derivatives Imidolactams Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Imidolactam - Pyridine - Heteroaromatic compound - Vinylogous amide - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Hydrazine derivative - Aromatic heteromonocyclic 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