Compound Identification
SMILES
CC1=CC(Br)=CC(=CNC2=CC3=C(OC(N3)=C3C=CC(=O)C(Br)=C3)C=C2)C1=O
InChIKey
InChIKey=HOUBFNSEGMLZBT-UHFFFAOYSA-N
Formula
C21H14Br2N2O3
Mass
502.162
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
O-quinomethanes P-quinomethanes Benzenoids Vinylogous amides Alpha-haloketones Ketene acetals Vinyl bromides Oxacyclic compounds Enamines Bromoalkenes Azacyclic compounds Allylamines Secondary amines Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - O-quinomethane - P-quinomethane - Quinomethane - Benzenoid - Alpha-haloketone - Vinylogous amide - Ketene acetal or derivatives - Ketone - Cyclic ketone - Enamine - Allylamine - Secondary amine - Vinyl bromide - Vinyl halide - Oxacycle - Azacycle - Bromoalkene - Haloalkene - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aldehyde - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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