Compound Identification
SMILES
CCCC1=CC(=O)OC2=C(C)C3=C(CN(CO3)C3=CC=C(C=C3)C(F)(F)F)C=C12
InChIKey
InChIKey=KPUOJYNTNVFPKM-UHFFFAOYSA-N
Formula
C22H20F3NO3
Mass
403.401
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 Benzoxazines 1-benzopyrans Dialkylarylamines Aniline and substituted anilines Pyranones and derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Benzoxazine - Trifluoromethylbenzene - 1-benzopyran - Dialkylarylamine - Aniline or substituted anilines - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - 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