Compound Identification
SMILES
COC(=O)C1C(=O)C(C(N)=C)C(=O)CC1(C)C
InChIKey
InChIKey=WKEFCAMYHXDQIH-UHFFFAOYSA-N
Formula
C12H17NO4
Mass
239.271
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
1,3-dicarbonyl compounds
- Level 6 Beta-diketones
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Level 5
1,3-dicarbonyl compounds
-
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
1,3-dicarbonyl compounds
Direct Parent
Beta-diketones
Alternative Parents
Methyl esters Cyclic ketones Amino acids and derivatives Monocarboxylic acids and derivatives Enamines Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
1,3-diketone - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Cyclic ketone - Monocarboxylic acid or derivatives - Enamine - Carboxylic acid derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single carbon atom.
External Descriptors
Not available