Compound Identification
SMILES
NC1=C(C#N)C(C2=C(OC(F)F)C=CC(Br)=C2)C2=C(O1)C1=CC=CC=C1OC2=O
InChIKey
InChIKey=SWCQVKFMJHDMQV-UHFFFAOYSA-N
Formula
C20H11BrF2N2O4
Mass
461.219
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 Phenoxy compounds Phenol ethers Pyranones and derivatives Bromobenzenes Aryl bromides Vinylogous esters Heteroaromatic compounds Ketene acetals Lactones Oxacyclic compounds Nitriles Hydrocarbon derivatives Organobromides Organofluorides Organopnictogen compounds Organic oxides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular pyranocoumarin - 1-benzopyran - Benzopyran - Phenol ether - Phenoxy compound - Pyranone - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Pyran - Aryl halide - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Lactone - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - Organobromide - Organofluoride - 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