Compound Identification
SMILES
CC(=O)C1=CC(NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C2=CC=CC(=C2)[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=ZLMWFEBCACAJAM-UHFFFAOYSA-N
Formula
C22H17N5O5S
Mass
463.47
Taxonomic Classification
Taxonomy Tree
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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
Quinoxalines Benzenesulfonamides Acetophenones Nitrobenzenes Benzenesulfonyl compounds Aniline and substituted anilines Aryl alkyl ketones Nitroaromatic compounds Benzoyl derivatives Aminopyrazines Organosulfonamides Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Quinoxaline - Benzenesulfonamide - Acetophenone - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Aryl alkyl ketone - Aniline or substituted anilines - Benzoyl - Aminopyrazine - Organosulfonic acid amide - Benzenoid - Monocyclic benzene moiety - Pyrazine - Imidolactam - Sulfonyl - Organosulfonic acid or derivatives - Aminosulfonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxide - Organic salt - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic zwitterion - 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