Compound Identification
SMILES
CCOC(=O)CC(=O)\C=C(/O)C1=CN=CC=C1
InChIKey
InChIKey=WKRYOGOCIHHDFB-WDZFZDKYSA-N
Formula
C12H13NO4
Mass
235.239
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
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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 Pyridines and derivatives 1,3-dicarbonyl compounds Vinylogous acids Heteroaromatic compounds Enones Acryloyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Enols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta-keto acid - Fatty acid ester - Fatty acyl - 1,3-dicarbonyl compound - Pyridine - Acryloyl-group - Enone - Heteroaromatic compound - Vinylogous acid - Alpha,beta-unsaturated ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Enol - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic 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