Compound Identification
SMILES
CC1=C2CCC3=NC(=O)C(=CC3=C2ON1)C#N
InChIKey
InChIKey=RVUMHLAXMNBBMM-UHFFFAOYSA-N
Formula
C12H9N3O2
Mass
227.223
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azolines
- Subclass Isoxazolines
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Class
Azolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azolines
Subclass
Isoxazolines
Intermediate Tree Nodes
Not available
Direct Parent
Isoxazolines
Alternative Parents
N-acylimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles N-organohydroxylamines Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Isoxazoline - N-acylimine - Carboxylic acid derivative - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - N-organohydroxylamine - Azacycle - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoxazolines. These are compounds containing a five-member unsaturated aliphatic ring, with an oxygen atom adjacent to a nitrogen atoms, and three carbon atoms.
External Descriptors
Not available