Compound Identification
SMILES
CC1=CC2=C(O\C(N2)=C2/C=C(NC(=O)C3=NC=NN3)C=CC2=O)C=C1
InChIKey
InChIKey=PUJRLRHLWWZYGG-GZTJUZNOSA-N
Formula
C17H13N5O3
Mass
335.323
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
2-heteroaryl carboxamides O-quinomethanes Benzenoids Vinylogous esters Vinylogous amides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Ketene acetals Oxacyclic compounds Azacyclic compounds Aldehydes Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazoline - 2-heteroaryl carboxamide - O-quinomethane - Quinomethane - Benzenoid - Azole - 1,2,4-triazole - Vinylogous amide - Vinylogous ester - Heteroaromatic compound - Cyclic ketone - Carboxamide group - Secondary carboxylic acid amide - Ketene acetal or derivatives - Ketone - Oxacycle - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Aldehyde - Carbonyl group - 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