Compound Identification
SMILES
CC(Cl)C(=O)C1=C(N)N(C)C(=O)N(C)C1=O
InChIKey
InChIKey=BFRSUNXCACCUHG-UHFFFAOYSA-N
Formula
C9H12ClN3O3
Mass
245.66
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 Aryl alkyl ketones
-
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
Direct Parent
Aryl alkyl ketones
Alternative Parents
Pyrimidones Aminopyrimidines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Alpha-chloroketones Ureas Lactams Azacyclic compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl alkyl ketone - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Alpha-haloketone - Alpha-chloroketone - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Amine - Alkyl chloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available