Compound Identification
SMILES
CC(=O)NC1=NC2=C(S1)C(=O)[C@H](CC2)C(=O)C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=JDMNMMLFCIQQME-LLVKDONJSA-N
Formula
C16H13N3O5S
Mass
359.36
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
N-acetylarylamines Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Beta-diketones Heteroaromatic compounds Acetamides Thiazoles Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - N-acetylarylamine - Nitrobenzene - N-arylamide - Nitroaromatic compound - Aryl alkyl ketone - Benzoyl - 1,3-diketone - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Benzenoid - Acetamide - Heteroaromatic compound - Thiazole - Azole - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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