Structure Information
Structure

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

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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 - 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

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