Compound Identification
SMILES
ClC1=CC2=C(C=C1)C(CCCO2)=C(C#N)C#N
InChIKey
InChIKey=NXPMAIFZOJEYFO-UHFFFAOYSA-N
Formula
C13H9ClN2O
Mass
244.68
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
Alkyl aryl ethers Benzenoids Aryl chlorides Oxacyclic compounds Nitriles Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Ether - Carbonitrile - Nitrile - Oxacycle - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen 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