Compound Identification
SMILES
COC(=O)C(=O)C(C(=O)C1=CC=C(F)C=C1)C1=NC2=NN=C(N)N2C1=O
InChIKey
InChIKey=NXNFHYPVQAYBOE-UHFFFAOYSA-N
Formula
C15H10FN5O5
Mass
359.273
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
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Level 5
Ketones
-
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
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Butyrophenones Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Beta-diketones Fatty acid esters Fluorobenzenes Alpha-keto acids and derivatives Aryl fluorides Triazoles Methyl esters Heteroaromatic compounds Lactams Amino acids and derivatives Ketimines Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organofluorides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Gamma-keto acid - Benzoyl - Aryl alkyl ketone - Halobenzene - Fluorobenzene - Fatty acid ester - 1,3-diketone - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - 1,3-dicarbonyl compound - Keto acid - Alpha-keto acid - Fatty acyl - Aryl halide - Heteroaromatic compound - Methyl ester - 1,2,4-triazole - Azole - Amino acid or derivatives - Carboxylic acid ester - Ketimine - Lactam - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary amine - Organic oxide - Amine - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Imine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available