Compound Identification
SMILES
COC1=CC(=CNN2C(C)=CC(C)=C(C#N)C2=O)C=C(OC)C1=O
InChIKey
InChIKey=GQQBYJXMXKTZJW-UHFFFAOYSA-N
Formula
C17H17N3O4
Mass
327.34
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
3-pyridinecarbonitriles Pyridinones Methylpyridines Dihydropyridines Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-quinomethane - 3-pyridinecarbonitrile - Dihydropyridine - Methylpyridine - Pyridinone - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Cyanide - Organic nitrogen compound - Aromatic heteromonocyclic 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