Compound Identification
SMILES
COC1=C(F)C=C(C=C1)C(=O)COC(=O)C1=NNC2=CC=CC=C12
InChIKey
InChIKey=CDWWKSTXZZEJHU-UHFFFAOYSA-N
Formula
C17H13FN2O4
Mass
328.299
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
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
Indazoles Pyrazole carboxylic acids and derivatives Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indazole - Benzopyrazole - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Phenol ether - Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Pyrazole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - 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