Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)NC(C)=C([C@H]1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC1CCN(CCCC(=O)C2=CC3=C(OCCO3)C=C2)C1

InChIKey

InChIKey=QBSIYCDUZXZAAB-FZNWDQQTSA-N

Formula

C32H35N3O9

Mass

605.644

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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 heteropolycyclic compounds

Substituents

Butyrophenone - Benzo-1,4-dioxane - Benzodioxane - Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Dihydropyridine - Para-dioxin - N-alkylpyrrolidine - Hydropyridine - Gamma-aminoketone - Dicarboxylic acid or derivatives - Pyrrolidine - Methyl ester - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Organic nitro compound - Tertiary aliphatic amine - C-nitro compound - Amino acid or derivatives - Ketone - Tertiary amine - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enamine - Ether - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic zwitterion - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic 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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