Compound Identification
SMILES
COC1=C(CN2N=C(C(Br)=C2C)[N+]([O-])=O)C=C(C=C1)C1C(C#N)=C(N)OC2=C1C(=O)OC1=CC=CC=C21
InChIKey
InChIKey=BPCGFEPFMLXFNS-UHFFFAOYSA-N
Formula
C25H18BrN5O6
Mass
564.352
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 Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Pyranones and derivatives Alkyl aryl ethers Imidolactams Aryl bromides Vinylogous esters Pyrazoles Heteroaromatic compounds Ketene acetals Lactones Nitriles Azacyclic compounds Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular pyranocoumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Aryl halide - Imidolactam - Pyran - Aryl bromide - Benzenoid - Heteroaromatic compound - Azole - Vinylogous ester - Pyrazole - Ketene acetal or derivatives - Lactone - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organopnictogen compound - Cyanide - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic oxygen compound - 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