Compound Identification
SMILES
OC1=CC2=C(N\C(O2)=C2/C=CC(=O)C=C2Cl)C=C1
InChIKey
InChIKey=PNJJVTAGXLZSQS-LCYFTJDESA-N
Formula
C13H8ClNO3
Mass
261.66
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 1-hydroxy-2-unsubstituted benzenoids Vinylogous halides Ketene acetals Vinyl chlorides Oxacyclic compounds Chloroalkenes Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - P-quinomethane - Quinomethane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Vinylogous halide - Ketene acetal or derivatives - Ketone - Cyclic ketone - Oxacycle - Azacycle - Vinyl chloride - Vinyl halide - Chloroalkene - Haloalkene - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen 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