Compound Identification
SMILES
CCN1\C(OC2=CC=CC=C12)=C/C=C/C1=[N+](CCCCCC([O-])=O)C2=CC=CC=C2O1
InChIKey
InChIKey=WORLWSFCGZCFSW-UHFFFAOYSA-N
Formula
C25H26N2O4
Mass
418.493
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 Medium-chain fatty acids Amino fatty acids Heterocyclic fatty acids Benzenoids Heteroaromatic compounds Oxazoles Ketene acetals Carboxylic acid salts Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Amines Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Benzoxazoline - Medium-chain fatty acid - Amino fatty acid - Heterocyclic fatty acid - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Oxazole - Carboxylic acid salt - Ketene acetal or derivatives - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen 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
Not available