Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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