Compound Identification
SMILES
O=C1OC2=C(C=C1)C=CC(=C2)N1N=C2C=CC=CC2=N1
InChIKey
InChIKey=CBDCJHXEZLXYSN-UHFFFAOYSA-N
Formula
C15H9N3O2
Mass
263.256
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
1-benzopyrans Benzotriazoles Pyranones and derivatives Benzenoids Triazoles Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzotriazole - Pyranone - Pyran - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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