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)OCC(=O)C1=CC=C(OCC2=CC=CC=C2)C=C1

InChIKey

InChIKey=BQRBUMZIXXIQEH-LJAQVGFWSA-N

Formula

C31H28N2O8

Mass

556.571

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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 - Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Dihydropyridine - Alpha-acyloxy ketone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydropyridine - Benzenoid - Vinylogous amide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Enamine - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Organic oxide - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Amine - Organonitrogen compound - 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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