Compound Identification
SMILES
[Cl-].FC1=CC=C(C[N+]2=CC=C(\C=C\C(=O)C3=CC4=CC=CC=C4OC3=O)C=C2)C=C1
InChIKey
InChIKey=GGGPZMJKZPUKFC-HCUGZAAXSA-M
Formula
C24H17ClFNO3
Mass
421.85
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 Aryl ketones Pyranones and derivatives Fluorobenzenes Pyridinium derivatives Aryl fluorides Acryloyl compounds Enones Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organic chloride salts Organonitrogen compounds Organic oxides Organofluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Aryl ketone - Fluorobenzene - Halobenzene - Pyranone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Pyridine - Pyridinium - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Heteroaromatic compound - Enone - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Azacycle - Organic chloride salt - Organic nitrogen compound - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic salt - Organic cation - 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