Compound Identification
SMILES
CC1=C(Cl)C(C)=C(C(=O)C1=CNC1=CC(=C2NC3=CC=CC=C3O2)C(=O)C=C1)[N+]([O-])=O
InChIKey
InChIKey=PUBKPDJOKBMTRN-UHFFFAOYSA-N
Formula
C22H16ClN3O5
Mass
437.84
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 C-nitro compounds Ketene acetals Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Allylamines Azacyclic compounds Organic oxoazanium compounds Chloroalkenes Dialkylamines Enamines Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - O-quinomethane - Quinomethane - Benzenoid - Vinylogous amide - Vinylogous ester - Ketene acetal or derivatives - Ketone - C-nitro compound - Cyclic ketone - Organic nitro compound - Oxacycle - Allylamine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Chloroalkene - Haloalkene - Secondary aliphatic amine - Vinyl halide - Vinyl chloride - Secondary amine - Enamine - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Amine - Aldehyde - Organopnictogen compound - Organic nitrogen compound - Organic zwitterion - Organic oxide - Carbonyl group - Organic salt - 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