Compound Identification
SMILES
OCCN1C(SCC(=O)C2=CC=CC=C2)=NC2=C1C=CC(=C2)[N+]([O-])=O
InChIKey
InChIKey=KFWVJBQXLTZTDB-UHFFFAOYSA-N
Formula
C17H15N3O4S
Mass
357.38
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
Benzimidazoles Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers N-substituted imidazoles Heteroaromatic compounds Alkanolamines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzimidazole - Aryl thioether - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Alkanolamine - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Primary alcohol - Organopnictogen compound - Organic nitrogen compound - Alcohol - Organic zwitterion - Organic oxide - 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