Compound Identification
SMILES
CCC(=O)C1=CC=C(OCC(=O)[C@H](C#N)C(C)=N)C=C1
InChIKey
InChIKey=DJHSMXBBYSFYMW-CYBMUJFWSA-N
Formula
C15H16N2O3
Mass
272.304
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
Phenylpropanes Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Ketimines Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Benzoyl - Phenol ether - Aryl alkyl ketone - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketimine - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organonitrogen compound - Imine - Hydrocarbon derivative - Organic oxide - Cyanide - Aromatic homomonocyclic 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