Compound Identification
SMILES
O=C1OC[C@H]2[C@@H]1C(C#N)=C1OC3=CC=CC=C3N1[C@@H]2C1=CC=CC=C1
InChIKey
InChIKey=RITIDDZALILIHQ-JCGIZDLHSA-N
Formula
C20H14N2O3
Mass
330.343
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazolines
Alternative Parents
Tetrahydropyridines Gamma butyrolactones Benzene and substituted derivatives Oxolanes Ketene acetals Carboxylic acid esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - Tetrahydropyridine - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Oxolane - Carboxylic acid ester - Ketene acetal or derivatives - Lactone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Hydrocarbon derivative - Organic oxide - Cyanide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazolines. These are organic compounds containing a benzene ring fused to an oxazoline ring. Oxazoline is five-membered unsaturated ring with a nitrogen atom and an oxygen atom at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
External Descriptors
Not available