Compound Identification
SMILES
OCC[C@H]1OCC2=CC=CC=C2C[C@@]1(CO)C#N
InChIKey
InChIKey=UTLSUERBPZDODI-KGLIPLIRSA-N
Formula
C14H17NO3
Mass
247.294
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Benzenoid - Dialkyl ether - Ether - Carbonitrile - Oxacycle - Nitrile - Alcohol - Organooxygen compound - Organonitrogen compound - Primary alcohol - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available