Structure Information
Structure

Compound Identification

SMILES

OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.COC1=CC=C(C=C1)C(=O)CCCN1CCOCC1

InChIKey

InChIKey=AISVSDLLBXUUJJ-UHFFFAOYSA-N

Formula

C21H24N4O10

Mass

492.441

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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

Not available

Substituents

Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - Nitrophenol - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Gamma-aminoketone - Morpholine - Oxazinane - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Oxacycle - Dialkyl ether - Ether - Organic salt - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic zwitterion - Organic nitrogen 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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