Compound Identification
SMILES
CC[C@H]1C2=C(OC3=C1C(=O)N(CC1=CC=C(F)C=C1)C(C)=N3)C1=CC=CC=C1OC2=O
InChIKey
InChIKey=ODFRFTMQEHSWEZ-INIZCTEOSA-N
Formula
C24H19FN2O4
Mass
418.424
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 Pyrimidones Pyranones and derivatives Fluorobenzenes Aryl fluorides Vinylogous esters Heteroaromatic compounds Lactones Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diaryl ether - Benzopyran - 1-benzopyran - Halobenzene - Fluorobenzene - Pyranone - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Pyran - Heteroaromatic compound - Vinylogous ester - Lactone - Lactam - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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