Compound Identification
SMILES
OC(=O)C(=O)CC(=O)C1=NN(CC2=CC=C(F)C=C2)C(=C1)C(=O)CC(=O)C(O)=O
InChIKey
InChIKey=JHIGNZZEEDSHEN-UHFFFAOYSA-N
Formula
C18H13FN2O8
Mass
404.306
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Keto acids and derivatives
- Subclass Gamma-keto acids and derivatives
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Class
Keto acids and derivatives
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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
Gamma-keto acids and derivatives
Alternative Parents
Aryl alkyl ketones Fluorobenzenes Beta-diketones Dicarboxylic acids and derivatives Aryl fluorides Alpha-keto acids and derivatives Pyrazoles Heteroaromatic compounds Alpha-hydroxy ketones Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Halobenzene - Fluorobenzene - 1,3-diketone - Alpha-keto acid - Aryl fluoride - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Benzenoid - Monocyclic benzene moiety - Aryl halide - Alpha-hydroxy ketone - Pyrazole - Heteroaromatic compound - Azole - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
External Descriptors
Not available