Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(=O)C(=C\NC(=S)NCCC1=CC(OC)=C(OC)C=C1)\C(=O)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=NSJUSQJBBLHWTD-GHRIWEEISA-N

Formula

C23H23N3O8S

Mass

501.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Butyrophenones

Intermediate Tree Nodes

Not available

Direct Parent

Butyrophenones

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Butyrophenone - Dimethoxybenzene - O-dimethoxybenzene - Nitrobenzene - Phenol ether - Aryl ketone - Gamma-keto acid - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Anisole - Benzoyl - Alkyl aryl ether - Fatty acid ester - Keto acid - Alpha-branched alpha,beta-unsaturated-ketone - Alpha-keto acid - Fatty acyl - Acryloyl-group - Enone - Vinylogous amide - Alpha,beta-unsaturated ketone - Methyl ester - Thiourea - Organic nitro compound - Carboxylic acid ester - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic salt - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.

External Descriptors

Not available

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