Compound Identification
SMILES
CCOC(=O)C(=O)CC(=O)C=CC1=CC=CN1CC1=CC=C(F)C=C1
InChIKey
InChIKey=JYAXIESQUNGIMN-UHFFFAOYSA-N
Formula
C19H18FNO4
Mass
343.354
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
-
Subclass
Gamma-keto acids and derivatives
- Level 5 3-Acylpyruvic acids
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Subclass
Gamma-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
Gamma-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
3-Acylpyruvic acids
Alternative Parents
Beta-diketones Fatty acid esters Fluorobenzenes Aryl fluorides Alpha-keto acids and derivatives Substituted pyrroles Heteroaromatic compounds Enones Acryloyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-acylpyruvic acid - Halobenzene - Fluorobenzene - Fatty acid ester - 1,3-diketone - Alpha-keto acid - Aryl fluoride - Substituted pyrrole - 1,3-dicarbonyl compound - Benzenoid - Monocyclic benzene moiety - Aryl halide - Fatty acyl - Enone - Pyrrole - Acryloyl-group - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-acylpyruvic acids. These are compounds containing a pyruvic acid substituted at the 3-position by an acyl group.
External Descriptors
Not available