Compound Identification
SMILES
CCOC(=O)NC1=NC(N)=C(C(NCC(=O)C2=CC=C(C=C2)C(F)(F)F)=C1)[N+]([O-])=O
InChIKey
InChIKey=COEIQGWAMWNTHQ-UHFFFAOYSA-N
Formula
C17H16F3N5O5
Mass
427.34
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
-
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
Trifluoromethylbenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Aminopyridines and derivatives Secondary alkylarylamines Imidolactams Heteroaromatic compounds Carbamate esters Alpha-amino ketones Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Alkyl fluorides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Trifluoromethylbenzene - Nitroaromatic compound - Aryl alkyl ketone - Benzoyl - Aminopyridine - Secondary aliphatic/aromatic amine - Pyridine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Alpha-aminoketone - Heteroaromatic compound - Carbamic acid ester - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Secondary amine - Organic 1,3-dipolar compound - Organoheterocyclic compound - Alkyl fluoride - Organonitrogen compound - Organofluoride - Primary amine - Organohalogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Alkyl halide - 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