Compound Identification
SMILES
O[C@@]1(CC(=O)C2=CC=CC=C2[N+]([O-])=O)C(=O)N(CC2=CC=CS2)C2=CC=CC=C12
InChIKey
InChIKey=JBKCFGLZRCIQHT-OAQYLSRUSA-N
Formula
C21H16N2O5S
Mass
408.43
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
Indoles and derivatives Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Beta-hydroxy ketones Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary alcohols Lactams Amino acids and derivatives Tertiary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic oxides Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Nitrobenzene - Indole or derivatives - Nitroaromatic compound - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Beta-hydroxy ketone - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary alcohol - Thiophene - Lactam - C-nitro compound - Amino acid or derivatives - Tertiary amine - Carboxamide group - Organic nitro compound - 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 - Organic nitrogen compound - Amine - Organic salt - Organic oxide - Hydrocarbon derivative - Alcohol - Organonitrogen compound - 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