Compound Identification
SMILES
FC(F)(F)C1=CC=CC(CN2COC3=C(Cl)C=C4C5=C(CCC5)C(=O)OC4=C3C2)=C1
InChIKey
InChIKey=NXLSJQMJGJUBTF-UHFFFAOYSA-N
Formula
C22H17ClF3NO3
Mass
435.83
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
Trifluoromethylbenzenes 1-benzopyrans Benzoxazines Benzylamines Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Amines Alkyl fluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Trifluoromethylbenzene - Benzopyran - Benzoxazine - 1-benzopyran - Benzylamine - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organooxygen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen 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