Compound Identification
SMILES
NC1=C(C#N)C(C2=CC=C(Cl)C=C2)C2=C(O1)C=CC1=C2OC(=O)C=C1
InChIKey
InChIKey=CXLATDWSPLCOAR-UHFFFAOYSA-N
Formula
C19H11ClN2O3
Mass
350.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Pyranoneoflavonoids
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Pyranoneoflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
Pyranoneoflavonoids
Alternative Parents
Angular pyranocoumarins 1-benzopyrans Pyranones and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactones Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyranoneoflavonoid - Angular pyranocoumarin - Pyranocoumarin - Coumarin - Benzopyran - 1-benzopyran - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Ketene acetal or derivatives - Lactone - Nitrile - Carbonitrile - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyranoneoflavonoids. These are compounds containing a pyran ring fused to either ring A, B, or C of the neoflavonoid skeleton. Neoflavonoids are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
Not available