Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Pyranocoumarins

Intermediate Tree Nodes

Not available

Direct Parent

Angular pyranocoumarins

Alternative Parents

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

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