Compound Identification
SMILES
CC(C)(C)ON\C(=C1\C=C(Cl)C(=CC1=O)C#N)C1=C(O)C=CC=N1
InChIKey
InChIKey=OFAYUIQFWCUAKO-PTNGSMBKSA-N
Formula
C17H16ClN3O3
Mass
345.78
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
Hydroxypyridines Vinylogous amides Heteroaromatic compounds Vinyl chlorides Nitriles N-organohydroxylamines Chloroalkenes Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Hydroxypyridine - Pyridine - Vinylogous amide - Heteroaromatic compound - Carbonitrile - Nitrile - Vinyl chloride - Vinyl halide - Organoheterocyclic compound - Haloalkene - Chloroalkene - N-organohydroxylamine - Azacycle - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Cyanide - Hydrocarbon 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