Compound Identification
SMILES
CC1=CC(=CNC2=CC3=C(OC(N3)=C3C=CC(=O)C(Br)=C3)C=C2)C(=O)C(Cl)=C1
InChIKey
InChIKey=KUSUBNDZRFGXJL-UHFFFAOYSA-N
Formula
C21H14BrClN2O3
Mass
457.71
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
P-quinomethanes O-quinomethanes Benzenoids Vinylogous amides Alpha-chloroketones Ketene acetals Allylamines Vinyl chlorides Azacyclic compounds Vinyl bromides Bromoalkenes Chloroalkenes Oxacyclic compounds Secondary amines Enamines Aldehydes Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - O-quinomethane - P-quinomethane - Quinomethane - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Vinylogous amide - Ketene acetal or derivatives - Ketone - Cyclic ketone - Enamine - Allylamine - Secondary amine - Vinyl bromide - Vinyl chloride - Vinyl halide - Oxacycle - Azacycle - Chloroalkene - Haloalkene - Bromoalkene - Organooxygen compound - Organonitrogen compound - Organochloride - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aldehyde - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organohalogen compound - Organobromide - 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