Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC(=O)[C@H](C)OC(=O)CCC(=O)C2=CC=CC=C2)C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=XMHSJKKDKITVLU-ZDUSSCGKSA-N

Formula

C20H20N2O7

Mass

400.387

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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 homomonocyclic compounds

Substituents

Alkyl-phenylketone - Butyrophenone - Nitrophenyl ether - Nitrobenzene - Anilide - Methoxyaniline - Anisole - Benzoyl - Gamma-keto acid - Phenoxy compound - Phenol ether - N-arylamide - Aryl alkyl ketone - Nitroaromatic compound - Methoxybenzene - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Keto acid - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic salt - Aromatic homomonocyclic 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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