Compound Identification
SMILES
CC12CC(Cl)(C#N)C(C)(O1)C1OC21
InChIKey
InChIKey=PYSVJOHZLRFNCP-UHFFFAOYSA-N
Formula
C9H10ClNO2
Mass
199.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Oxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxepanes
Alternative Parents
Monosaccharides 1,4-dioxanes Oxolanes Oxacyclic compounds Nitriles Epoxides Dialkyl ethers Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Oxepane - Para-dioxane - Monosaccharide - Oxolane - Dialkyl ether - Oxirane - Ether - Carbonitrile - Nitrile - Oxacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Organic oxygen compound - Alkyl chloride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Cyanide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
External Descriptors
Not available