Compound Identification
SMILES
CC(=O)NC1=C(C(CC(=O)C2=CC=C(Cl)C=C2)=NS1)[N+]([O-])=O
InChIKey
InChIKey=GBCNNRIYHGNCSD-UHFFFAOYSA-N
Formula
C13H10ClN3O4S
Mass
339.75
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 Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Nitrothiazoles Chlorobenzenes Aryl chlorides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - N-acetylarylamine - Benzoyl - Nitroaromatic compound - Nitrothiazole - N-arylamide - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Acetamide - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - 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