Compound Identification
SMILES
CC1=C2N\C(OC2=CC=C1)=C1\C=C(C=CC1=O)N=CC1=CC(=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=WCJZRQDPJBODAJ-JPEFUALSSA-N
Formula
C21H14ClN3O4
Mass
407.81
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
Nitrobenzenes Nitroaromatic compounds O-quinomethanes Chlorobenzenes Aryl chlorides Vinylogous esters Vinylogous amides Shiff bases Ketene acetals Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Organochlorides Organopnictogen compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organic oxides Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Benzoxazoline - Quinomethane - O-quinomethane - Nitroaromatic compound - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous ester - Vinylogous amide - Cyclic ketone - C-nitro compound - Organic nitro compound - Ketone - Ketene acetal or derivatives - Shiff base - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Oxacycle - Aldimine - Aldehyde - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Imine - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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