Compound Identification
SMILES
O=CCCC[C@@H]1OO[C@](O1)(C#N)C1=CC=CC=C1
InChIKey
InChIKey=VIQNBIORWSGJRJ-QWHCGFSZSA-N
Formula
C13H13NO4
Mass
247.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Trioxolanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Trioxolanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Trioxolanes
Alternative Parents
Benzene and substituted derivatives Alpha-hydrogen aldehydes Dialkyl peroxides Oxacyclic compounds Nitriles Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - 1,2,4-trioxolane - Benzenoid - Alpha-hydrogen aldehyde - Dialkyl peroxide - Carbonitrile - Nitrile - Oxacycle - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Cyanide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as trioxolanes. These are compounds containing a five-member aliphatic saturated heterocycle made up of three oxygen atoms and two carbon atoms.
External Descriptors
Not available