Compound Identification
SMILES
[Na+].[O-]C1=CC(=O)C2=C(O1)C=C(OCC1=CN=CC=C1)C=C2
InChIKey
InChIKey=AAXOBQKZAXXKOO-UHFFFAOYSA-M
Formula
C15H10NNaO4
Mass
291.238
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
Chromones Phenol ethers Pyranones and derivatives Alkyl aryl ethers Pyridines and derivatives Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromone - Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Alkyl aryl ether - Pyranone - Pyran - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous acid - Ether - Organic alkali metal salt - Azacycle - Organoheterocyclic compound - Oxacycle - Organic nitrogen compound - Organic zwitterion - Organic salt - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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