Compound Identification
SMILES
I.CCCCCCN1C(OC2=CC=CC=C12)=CC=CC1OC2=C(C(=O)CC=C2)[N+]1([O-])CCCCCC
InChIKey
InChIKey=VMIBIRUPZHILDN-UHFFFAOYSA-N
Formula
C29H39IN2O4
Mass
606.545
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
Benzenoids Vinylogous esters Oxazolines Ketones Ketene acetals Trisubstituted amine oxides and derivatives Oxacyclic compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - Benzenoid - Oxazoline - Vinylogous ester - Ketene acetal or derivatives - Ketone - N-oxide - Trisubstituted n-oxide - Oxacycle - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic salt - 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