Compound Identification
SMILES
NC1=C(C#N)C(C2=C(F)C=C(Br)C=C2)C2=C(O1)C1=CC=CC=C1OC2=O
InChIKey
InChIKey=UZJZCQKOHXHSOJ-UHFFFAOYSA-N
Formula
C19H10BrFN2O3
Mass
413.202
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
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Subclass
Pyranocoumarins
- Level 5 Angular pyranocoumarins
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Subclass
Pyranocoumarins
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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 Fluorobenzenes Aryl bromides Aryl fluorides Vinylogous esters Heteroaromatic compounds Ketene acetals Lactones Nitriles Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular pyranocoumarin - 1-benzopyran - Benzopyran - Bromobenzene - Fluorobenzene - Halobenzene - Pyranone - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Pyran - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Lactone - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Organohalogen compound - Organobromide - Organofluoride - 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