Compound Identification
SMILES
NC1=CC2=C(C=C1)[C@@H](C1=CC(Cl)=CC=C1)C(C#N)=C(N)O2
InChIKey
InChIKey=YVSXDMVFHSTMOJ-OAHLLOKOSA-N
Formula
C16H12ClN3O
Mass
297.74
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
1-benzopyrans Chlorobenzenes Aryl chlorides Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Benzopyran - 1-benzopyran - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketene acetal or derivatives - Organoheterocyclic compound - Oxacycle - Carbonitrile - Nitrile - Hydrocarbon derivative - Primary aliphatic amine - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Primary amine - Organohalogen compound - Organochloride - Organonitrogen 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