Compound Identification
SMILES
COC1=CC2=C(OCC3=C(N=CC=C3)C2=O)C=C1
InChIKey
InChIKey=YPOGFZMVXUTMLY-UHFFFAOYSA-N
Formula
C14H11NO3
Mass
241.246
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
Aryl ketones Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Anisole - Phenol ether - Aryl ketone - Alkyl aryl ether - Pyridine - Benzenoid - Heteroaromatic compound - Ketone - Ether - Oxacycle - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen 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