Structure Information
Structure

Compound Identification

SMILES

O[C@@]1(CO[C@@H]2[C@H](CO[C@H]12)OO\C([O-])=N\C1=C[N+](=NO1)N1CCOCC1)[N+]([O-])=O

InChIKey

InChIKey=DMGRRHUYMZSFAD-UIMWLRQOSA-N

Formula

C13H17N5O10

Mass

403.304

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Furofurans

Subclass

Isosorbides

Intermediate Tree Nodes

Not available

Direct Parent

Isosorbides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isosorbide - Morpholine - Oxazinane - Azole - Oxadiazole - Oxolane - 1,2,3-oxadiazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Dialkyl ether - Oxacycle - Azacycle - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Alkanolamine - Carboximidic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.

External Descriptors

Not available

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