Compound Identification
SMILES
CC(C)(C)C1=CC(=C(O)C2=C1N\C(O2)=C1/C=C(Cl)C=C(Cl)C1=O)C(C)(C)C
InChIKey
InChIKey=SSMKCWNHLTVTOI-ODLFYWEKSA-N
Formula
C21H23Cl2NO3
Mass
408.32
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 Benzenoids Vinylogous esters Vinylogous amides Alpha-chloroketones Ketene acetals Vinyl chlorides Azacyclic compounds Oxacyclic compounds Chloroalkenes Hydrocarbon derivatives Aldehydes Organopnictogen compounds Organonitrogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - O-quinomethane - Quinomethane - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Vinylogous amide - Vinylogous ester - Ketene acetal or derivatives - Ketone - Cyclic ketone - Vinyl chloride - Vinyl halide - Oxacycle - Azacycle - Chloroalkene - Haloalkene - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Aldehyde - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen 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