Compound Identification
SMILES
NC1=C(C#N)C2(C(=O)NC3=C2C=CC(Br)=C3)C2=C(O1)C1=CC=CC=C1OC2=O
InChIKey
InChIKey=KZOPMLJFRMUHRN-UHFFFAOYSA-N
Formula
C20H10BrN3O4
Mass
436.221
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 Indolines Pyranones and derivatives Aryl bromides Benzenoids Vinylogous esters Heteroaromatic compounds Secondary carboxylic acid amides Ketene acetals Lactams Lactones Nitriles Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular pyranocoumarin - Benzopyran - 1-benzopyran - Indole or derivatives - Dihydroindole - Pyranone - Aryl bromide - Aryl halide - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous ester - Secondary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Lactam - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Amine - Organohalogen compound - Organobromide - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen 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