Compound Identification
SMILES
COC(=O)[C@H]1CCC[C@H](C2[C@H](C)[C@]3(Cl)O[C@@H]3C1C21CC1)[N+]([O-])=O
InChIKey
InChIKey=YTBBOHHXIJASDW-ODWRFCKBSA-N
Formula
C16H22ClNO5
Mass
343.8
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
Methyl esters C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Epoxides Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organochlorides Carbonyl compounds Organonitrogen compounds Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Oxepane - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organochloride - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Alkyl chloride - Alkyl halide - Carbonyl group - Organic salt - 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