Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C=C(NC2=NC(=CS2)C(=O)OCC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=IQXXWLFQUMOWEV-UHFFFAOYSA-N

Formula

C20H17N3O5S

Mass

411.43

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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 heteromonocyclic compounds

Substituents

Alkyl-phenylketone - Nitrobenzene - Thiazolecarboxylic acid or derivatives - Aryl alkyl ketone - Benzoyl - Aniline or substituted anilines - Xylene - O-xylene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Monocyclic benzene moiety - Benzenoid - Thiazole - Heteroaromatic compound - Azole - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Amine - Organic oxide - Organic zwitterion - 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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