Compound Identification
SMILES
NC1=C(C#N)C(C2=CC(=CC=C2)C(F)(F)F)C2=C(O1)C1=C(C=CN1)C=C2
InChIKey
InChIKey=NLICBEMALSSOCA-UHFFFAOYSA-N
Formula
C19H12F3N3O
Mass
355.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavonoids
Alternative Parents
Trifluoromethylbenzenes 1-benzopyrans Indoles Pyrroles Heteroaromatic compounds Ketene acetals Oxacyclic compounds Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives Amines Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Benzopyran - Trifluoromethylbenzene - 1-benzopyran - Indole - Indole or derivatives - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Ketene acetal or derivatives - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
Not available