Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H]1CCC[C@H](C2[C@H](C)[C@]3(Cl)O[C@@H]3C1C21CC1)[N+]([O-])=O

InChIKey

InChIKey=YTBBOHHXIJASDW-ODWRFCKBSA-N

Formula

C16H22ClNO5

Mass

343.8

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Oxepanes

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Oxepanes

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Oxepane - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organochloride - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Alkyl chloride - Alkyl halide - Carbonyl group - Organic salt - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.

External Descriptors

Not available

Previous Back Next