Compound Identification
SMILES
COC(=O)C1=C2N=C(OC2=CC=C1)C1=C2NC(OC2=CC=C1)=C1C=CC=CC1=O
InChIKey
InChIKey=KHQWPXPNDALATG-UHFFFAOYSA-N
Formula
C22H14N2O5
Mass
386.363
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
Benzoxazoles O-quinomethanes Benzenoids Vinylogous esters Vinylogous amides Oxazoles Methyl esters Heteroaromatic compounds Ketene acetals Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Benzoxazoline - O-quinomethane - Quinomethane - Benzenoid - Azole - Oxazole - Methyl ester - Heteroaromatic compound - Vinylogous amide - Vinylogous ester - Ketone - Ketene acetal or derivatives - Carboxylic acid ester - Cyclic ketone - Carboxylic acid derivative - Azacycle - Oxacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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