Compound Identification
SMILES
CCN1C(OC2=CC=CC=C12)=CC=CC1=[O+]C2=CC=CC=C2N1CC
InChIKey
InChIKey=VZUFSMBGWBLOCB-UHFFFAOYSA-N
Formula
C21H21N2O2
Mass
333.41
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
Benzoxazoles Benzenoids Oxazoles Heteroaromatic compounds Ketene acetals Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Benzoxazoline - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Ketene acetal or derivatives - Oxacycle - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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
CHEBI:52812 : cyanine dye - 1,3-benzoxazoles - benzoxazolium ion