Compound Identification
SMILES
CC1=NOC(=O)[C@@]11[C@H](C2=CC=CC=C2)C(C#N)(C#N)C(C#N)=C1N
InChIKey
InChIKey=PCKACTMTICUFCB-CXAGYDPISA-N
Formula
C17H11N5O2
Mass
317.308
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azolines
-
Subclass
Isoxazolines
- Level 5 Isoxazolinones
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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
Isoxazolinones
Alternative Parents
Benzene and substituted derivatives Oxime esters Carboxylic acid salts Amino acids and derivatives Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organopnictogen compounds Organic salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Monocyclic benzene moiety - Isoxazolinone - Benzenoid - Oximester - Amino acid or derivatives - Carboxylic acid salt - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Azacycle - Carbonyl group - Organic oxygen compound - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic salt - Amine - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoxazolinones. These are compounds containing an isoxazoline ring that bears a ketone group.
External Descriptors
Not available