Compound Identification
SMILES
COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)[C@]1(O)CO[C@@H]2[C@@H](CO[C@H]12)O[N+]([O-])=O
InChIKey
InChIKey=JZKLPMSRNJIJIH-AYEZBUNNSA-N
Formula
C22H23N3O11
Mass
505.436
Taxonomic Classification
Taxonomy Tree
-
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
Dihydropyridinecarboxylic acids and derivatives Nitrobenzenes Nitroaromatic compounds Vinylogous amides Tertiary alcohols Alkyl nitrates Oxolanes Alpha-hydroxy ketones Enoate esters Methyl esters Amino acids and derivatives Organic nitric acids and derivatives Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Dialkylamines Enamines Monocarboxylic acids and derivatives Organic oxoazanium compounds Organopnictogen compounds Organic salts Hydrocarbon derivatives Aldehydes Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isosorbide - Nitrobenzene - Dihydropyridinecarboxylic acid derivative - Nitroaromatic compound - Dihydropyridine - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Tertiary alcohol - Methyl ester - Organic nitrate - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Oxolane - Alkyl nitrate - Vinylogous amide - Alpha-hydroxy ketone - C-nitro compound - Ketone - Amino acid or derivatives - Organic nitric acid or derivatives - Carboxylic acid ester - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Oxacycle - Enamine - Ether - Azacycle - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Amine - Organic oxygen compound - Organopnictogen compound - Organic salt - Carbonyl group - Alcohol - Organic oxide - Aldehyde - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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