Compound Identification
SMILES
NC1=CC2=C(C=C1)[C@@H](C1=C(Cl)C=C(Cl)C=C1)C(C#N)=C(N)O2
InChIKey
InChIKey=OCNISWAUBSKCDQ-OAHLLOKOSA-N
Formula
C16H11Cl2N3O
Mass
332.18
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 Dichlorobenzenes Aryl chlorides Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Benzopyran - 1-benzopyran - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Ketene acetal or derivatives - Oxacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Hydrocarbon derivative - Organopnictogen compound - Primary aliphatic amine - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - 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