Compound Identification
SMILES
CCOC(=O)C(=CC1=CC(=CN(C)C)C(=O)O1)C(C)=O
InChIKey
InChIKey=KWRXRTMQQARFPI-UHFFFAOYSA-N
Formula
C14H17NO5
Mass
279.292
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
-
Class
Keto acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Beta-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta-keto acids and derivatives
Alternative Parents
Fatty acid esters Alpha-branched alpha,beta-unsaturated ketones Dicarboxylic acids and derivatives Acryloyl compounds Vinylogous amides Dihydrofurans Enoate esters Enol esters Enones Trialkylamines Amino acids and derivatives Ketones Lactones Enamines Allylamines Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Beta-keto acid - Fatty acid ester - Dicarboxylic acid or derivatives - Alpha-branched alpha,beta-unsaturated-ketone - Fatty acyl - Acryloyl-group - Dihydrofuran - Enol ester - Enone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alpha,beta-unsaturated ketone - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Lactone - Ketone - Oxacycle - Organoheterocyclic compound - Allylamine - Carboxylic acid derivative - Enamine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic oxide - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
External Descriptors
Not available