Compound Identification
SMILES
CC1=CC=C(NS(=O)(=O)C2=CC(C(=O)OCC(=O)C3=CC=C(C=C3)[N+]([O-])=O)=C(C)C=C2)C=C1
InChIKey
InChIKey=GTLNTDMFYYCRRQ-UHFFFAOYSA-N
Formula
C23H20N2O7S
Mass
468.48
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
-
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
P-toluenesulfonamides Sulfanilides Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Nitrobenzenes Aryl alkyl ketones Nitroaromatic compounds Benzoyl derivatives Organosulfonamides Aminosulfonyl compounds Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - P-toluenesulfonamide - Benzenesulfonamide - Benzoate ester - Sulfanilide - Benzenesulfonyl group - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Toluene - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic 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