Compound Identification
SMILES
CCOC(=O)C(C#N)=C1OC2=CC=CC=C2N1C
InChIKey
InChIKey=WFXODXGXURTYNR-UHFFFAOYSA-N
Formula
C13H12N2O3
Mass
244.25
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 Vinylogous amides Enoate esters Ketene acetals Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Vinylogous ester - Carboxylic acid ester - Ketene acetal or derivatives - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - 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