Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC(=O)C1=CC=C(OC2=NC=NC(N3CCN(CC4=CC5=C(OCO5)C=C4)CC3)=C2[N+]([O-])=O)C=C1

InChIKey

InChIKey=SXDPNOJASHSGEE-UHFFFAOYSA-N

Formula

C26H25N5O8

Mass

535.513

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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 heteropolycyclic compounds

Substituents

Alkyl-phenylketone - N-arylpiperazine - Diaryl ether - Benzodioxole - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Dialkylarylamine - Aryl alkyl ketone - Aminopyrimidine - Beta-keto acid - Fatty acid ester - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Keto acid - Piperazine - Pyrimidine - 1,3-dicarbonyl compound - Fatty acyl - Benzenoid - Imidolactam - Methyl ester - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - C-nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Acetal - Carboxylic acid derivative - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organic nitrogen compound - Aldehyde - Organopnictogen compound - Organic zwitterion - Amine - Organic oxide - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic 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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