Compound Identification
SMILES
NC1=C(C#N)C(C2=CC=C(O2)C2=CC(=CC=C2)[N+]([O-])=O)C2=C(O1)C1=CC=CC=C1OC2=O
InChIKey
InChIKey=WKNPYVOQHXWFTJ-UHFFFAOYSA-N
Formula
C23H13N3O6
Mass
427.372
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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
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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 Nitrobenzenes Nitroaromatic compounds Pyranones and derivatives Vinylogous esters Furans Heteroaromatic compounds Ketene acetals Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular pyranocoumarin - Benzopyran - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Furan - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Lactone - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Organic salt - Organopnictogen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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