Compound Identification
SMILES
CC1=NC(=C(N2CCCC2)N1CC(=O)C1=CC=C(F)C=C1)[N+]([O-])=O
InChIKey
InChIKey=MKSFJRJHTYZVTQ-UHFFFAOYSA-N
Formula
C16H17FN4O3
Mass
332.335
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
1,2,4,5-tetrasubstituted imidazoles Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Nitroimidazoles Fluorobenzenes Aminoimidazoles Aryl fluorides Imidolactams N-substituted imidazoles Heteroaromatic compounds Pyrrolidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 1,2,4,5-tetrasubstituted imidazole - Nitroaromatic compound - Benzoyl - Dialkylarylamine - Aryl alkyl ketone - Nitroimidazole - Fluorobenzene - Halobenzene - Aminoimidazole - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Pyrrolidine - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organofluoride - Organic zwitterion - Amine - Organic salt - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic 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