Compound Identification
SMILES
COC1=C(OC)C2=C3C(NC(=O)C(O)(CC(=O)C4=CC=CC=C4)C3=CC(Cl)=N2)=C1
InChIKey
InChIKey=OJXPOFORGKOUPG-UHFFFAOYSA-N
Formula
C21H17ClN2O5
Mass
412.83
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
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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
Quinolones and derivatives Chloroquinolines Naphthyridines Anisoles Aryl alkyl ketones Benzoyl derivatives 2-halopyridines Alkyl aryl ethers Aryl chlorides Beta-hydroxy ketones Tertiary alcohols Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Haloquinoline - Quinolone - Chloroquinoline - Diazanaphthalene - Quinoline - Naphthyridine - Anisole - Benzoyl - Aryl alkyl ketone - Alkyl aryl ether - 2-halopyridine - Beta-hydroxy ketone - Benzenoid - Monocyclic benzene moiety - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Tertiary alcohol - Lactam - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic 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