Compound Identification
SMILES
NC(=N)C1=CC(CO[C@H]2CO[C@@H]3[C@@H](CO[C@H]23)OC2=C(C=C(Cl)C=C2)C(N)=N)=CC=C1
InChIKey
InChIKey=ZMONFSSSHDAWIZ-WJFTUGDTSA-N
Formula
C21H23ClN4O4
Mass
430.89
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
Benzylethers Phenoxy compounds Phenol ethers Chlorobenzenes Alkyl aryl ethers Aryl chlorides Oxolanes Oxacyclic compounds Dialkyl ethers Carboximidamides Carboxamidines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isosorbide - Benzylether - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxolane - Amidine - Oxacycle - Carboximidamide - Carboxylic acid amidine - Dialkyl ether - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen 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