Compound Identification
SMILES
CCO[C@@H]1C[C@@H]2[C@H](O1)[C@@H]1O[C@@H](OC[C@H]1O[C@H]2C#N)C1=CC=CC=C1
InChIKey
InChIKey=JNRZKVFKXAUHLQ-ZQPIRCLISA-N
Formula
C18H21NO5
Mass
331.368
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxanes
- Subclass 1,3-dioxanes
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Class
Dioxanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxanes
Subclass
1,3-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
1,3-dioxanes
Alternative Parents
Oxanes Monosaccharides Benzene and substituted derivatives Oxolanes Oxacyclic compounds Nitriles Dialkyl ethers Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Oxane - Monosaccharide - Oxolane - Acetal - Dialkyl ether - Ether - Oxacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3.
External Descriptors
Not available