Compound Identification
SMILES
OC1=CC(Br)=C2O\C(NC2=C1)=C1/C=CC(=O)C(Cl)=C1
InChIKey
InChIKey=RSSDFMGPWLKKDI-AWNIVKPZSA-N
Formula
C13H7BrClNO3
Mass
340.56
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 M-bromophenols 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Alpha-chloroketones Ketene acetals Vinyl chlorides Oxacyclic compounds Chloroalkenes Azacyclic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - 3-halophenol - 3-bromophenol - P-quinomethane - Quinomethane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl bromide - Aryl halide - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Ketene acetal or derivatives - Ketone - Cyclic ketone - Haloalkene - Chloroalkene - Azacycle - Vinyl halide - Vinyl chloride - Oxacycle - Organic nitrogen compound - Organobromide - Organohalogen compound - Organochloride - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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