Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC(=O)C1=CC=C(OC2=NC=NC(N3CC(C)OC(C)C3)=C2[N+]([O-])=O)C=C1

InChIKey

InChIKey=NCBXNMNQIAZVBY-UHFFFAOYSA-N

Formula

C20H22N4O7

Mass

430.417

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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 - Diaryl ether - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Dialkylarylamine - Aminopyrimidine - Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Keto acid - Morpholine - Oxazinane - Pyrimidine - 1,3-dicarbonyl compound - Benzenoid - Imidolactam - Fatty acyl - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Dialkyl ether - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Oxacycle - Ether - Carboxylic acid derivative - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Amine - Organic salt - Organic oxide - Hydrocarbon derivative - 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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