Compound Identification
SMILES
CC(=O)NCCCC1=NN=C(SCC(=O)C2=CC(=CC=C2)[N+]([O-])=O)N1C1=CC=C(F)C=C1
InChIKey
InChIKey=RLCOFYFUGKIJIX-UHFFFAOYSA-N
Formula
C21H20FN5O4S
Mass
457.48
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
Phenyl-1,2,4-triazoles Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Fluorobenzenes Alkylarylthioethers Aryl fluorides Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,4-triazole - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Halobenzene - Alkylarylthioether - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Triazole - 1,2,4-triazole - Azole - Heteroaromatic compound - Acetamide - Organic nitro compound - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic zwitterion - Organohalogen compound - Organic salt - Organofluoride - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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