Structure Information
Structure

Compound Identification

SMILES

CCN1C(COC2=C(C)C=C(C)C=C2)=NN=C1SCC(=O)C1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=QRBXNXYUXJSSAB-UHFFFAOYSA-N

Formula

C21H22N4O4S

Mass

426.49

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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 heteromonocyclic compounds

Substituents

Alkyl-phenylketone - Nitrobenzene - Phenol ether - Aryl alkyl ketone - Benzoyl - Xylene - M-xylene - Phenoxy compound - Nitroaromatic compound - Aryl thioether - Alkylarylthioether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - 1,2,4-triazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Thioether - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Ether - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - 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

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