Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)COC(=O)\C=C\C1=CC(OC)=C(OCC#N)C=C1
InChIKey
InChIKey=USZDKOWISVMVEO-ONNFQVAWSA-N
Formula
C21H19NO6
Mass
381.384
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 Styrenes Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Alpha-acyloxy ketones Fatty acid esters Enoate esters Monocarboxylic acids and derivatives Nitriles Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Styrene - Aryl alkyl ketone - Methoxybenzene - Alpha-acyloxy ketone - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - 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