Compound Identification
SMILES
COC1=CC(C(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+]([O-])=O)=C(O)C=C1
InChIKey
InChIKey=QRLUKLQXHVNKIX-UHFFFAOYSA-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
Methoxyphenols 4-alkoxyphenols Benzimidazoles Phenoxy compounds Anisoles Aryl alkyl ketones Nitroaromatic compounds Methoxybenzenes Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Alkylarylthioethers Vinylogous acids Imidazoles Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Methoxyphenol - Benzimidazole - 4-alkoxyphenol - Phenol ether - Aryl alkyl ketone - Benzoyl - Phenoxy compound - Methoxybenzene - Anisole - Nitroaromatic compound - Aryl thioether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Heteroaromatic compound - Azole - Imidazole - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxide - Organic salt - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Hydrocarbon derivative - 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