Structure Information
Structure

Compound Identification

SMILES

CC1=CC(CC(=O)OC2COC3C(COC23)O[N+]([O-])=O)=C(NC2=C(F)C=CC=C2Cl)C=C1

InChIKey

InChIKey=CQKOHMGRGQTYTB-UHFFFAOYSA-N

Formula

C21H20ClFN2O7

Mass

466.85

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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 - Aniline or substituted anilines - Aminotoluene - Toluene - Halobenzene - Fluorobenzene - Chlorobenzene - Primary aromatic amine - Aryl chloride - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Oxolane - Organic nitrate - Alkyl nitrate - Organic nitric acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Organic nitro compound - Oxacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Dialkyl ether - Ether - Allyl-type 1,3-dipolar organic compound - Secondary amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic zwitterion - Amine - Carbonyl group - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organofluoride - 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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