Compound Identification
SMILES
CC1C2=C(OC3=C1C(=O)OC1=CC=CC=C31)N=CN(C)C2=N
InChIKey
InChIKey=YPQOCACYLGWCBE-UHFFFAOYSA-N
Formula
C16H13N3O3
Mass
295.298
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
Diarylethers 1-benzopyrans Pyranones and derivatives Pyrimidines and pyrimidine derivatives Imidolactams Benzenoids Vinylogous esters Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diaryl ether - Benzopyran - 1-benzopyran - Pyranone - Pyran - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous ester - Lactone - Azacycle - Oxacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available