Compound Identification
SMILES
FC(F)(Cl)C(NC1=CC2=CC=CC=C2OC1=O)=C(C#N)C#N
InChIKey
InChIKey=YTTFXHQRCPSDDL-UHFFFAOYSA-N
Formula
C14H6ClF2N3O2
Mass
321.67
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 Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Secondary amines Oxacyclic compounds Enamines Nitriles Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Alkyl chlorides Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Enamine - Carbonitrile - Nitrile - Secondary amine - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organopnictogen compound - Alkyl chloride - Organic oxygen compound - Cyanide - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen 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