Compound Identification
SMILES
CCOC1=C(OCC)C=C2C(NC3=CC4=C(OC(=O)C=C4)C=C3)=C(C=NC2=C1)C#N
InChIKey
InChIKey=LCLFXIOCCVDSHS-UHFFFAOYSA-N
Formula
C23H19N3O4
Mass
401.422
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
4-aminoquinolines 1-benzopyrans Phenol ethers Pyranones and derivatives Aminopyridines and derivatives Alkyl aryl ethers Primary aromatic amines Heteroaromatic compounds Lactones Secondary amines Oxacyclic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-aminoquinoline - Aminoquinoline - Coumarin - Benzopyran - 1-benzopyran - Quinoline - Phenol ether - Alkyl aryl ether - Aminopyridine - Pyranone - Primary aromatic amine - Benzenoid - Pyran - Pyridine - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Nitrile - Carbonitrile - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Amine - 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