Compound Identification
SMILES
BrC1=CC=C(C=C1)[C@H]1[C@H](C#N)C(=N)OC2=C1C(=O)OC1=CC=CC=C21
InChIKey
InChIKey=NPKLNEYFRAZXIW-ZFWWWQNUSA-N
Formula
C19H11BrN2O3
Mass
395.212
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Pyranocoumarins
- Level 5 Angular pyranocoumarins
-
Subclass
Pyranocoumarins
-
Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Pyranocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Angular pyranocoumarins
Alternative Parents
1-benzopyrans Pyranones and derivatives Bromobenzenes Aryl bromides Heteroaromatic compounds Lactones Imidoesters Oxacyclic compounds Nitriles Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular pyranocoumarin - Benzopyran - 1-benzopyran - Bromobenzene - Halobenzene - Pyranone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Imido ester - Lactone - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety.
External Descriptors
Not available