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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Furofurans
- Subclass Isosorbides
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Class
Furofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Furofurans
Subclass
Isosorbides
Intermediate Tree Nodes
Not available
Direct Parent
Isosorbides
Alternative Parents
Aniline and substituted anilines Aminotoluenes Chlorobenzenes Fluorobenzenes Primary aromatic amines Aryl fluorides Aryl chlorides Oxolanes Alkyl nitrates Organic nitro compounds Organic nitric acids and derivatives Carboxylic acid esters Amino acids and derivatives Dialkyl ethers Monocarboxylic acids and derivatives Secondary amines Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organofluorides
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