Compound Identification
SMILES
CC(C)C(O)(CN1C=NC=N1)C(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=LXVJUXZVUZFAFR-UHFFFAOYSA-N
Formula
C14H16ClN3O2
Mass
293.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl 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 - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Butyrophenones Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Acyloins Triazoles Tertiary alcohols Heteroaromatic compounds Alpha-hydroxy ketones Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Aryl alkyl ketone - Benzoyl - Halobenzene - Chlorobenzene - Acyloin - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Alpha-hydroxy ketone - Heteroaromatic compound - Azole - 1,2,4-triazole - Tertiary alcohol - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available