Compound Identification
SMILES
COC1=CC=CC(=CNC2=CC=CC=C2C2=N[C@H](CO2)C(C)C)C1=O
InChIKey
InChIKey=XPFSBRXSQVJDIO-QGZVFWFLSA-N
Formula
C20H22N2O3
Mass
338.407
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
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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
Aniline and substituted anilines Vinylogous amides Oxazolines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Enamines Azacyclic compounds Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Oxazoline - Vinylogous amide - Enamine - Allylamine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organonitrogen compound - 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