Compound Identification
SMILES
COC1=C(OCC#N)C=CC(C=CC(=O)OCC(=O)NC2=CC=CC=C2C(C)=O)=C1
InChIKey
InChIKey=ZYZOHXZVFGYQER-UHFFFAOYSA-N
Formula
C22H20N2O6
Mass
408.41
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
Cinnamic acid esters Coumaric acids and derivatives Anilides Acetophenones Anisoles N-arylamides Methoxybenzenes Styrenes Benzoyl derivatives Aryl alkyl ketones Phenoxy compounds Alkyl aryl ethers Fatty acid esters Enoate esters Vinylogous amides Secondary carboxylic acid amides Nitriles Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Acetophenone - Anilide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Phenol ether - Styrene - N-arylamide - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Organic oxide - 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