Structure Information
Structure

Compound Identification

SMILES

COC1=C2OC(=O)C(=CC2=CC(Br)=C1)N=CC1=CC=CC=C1[N+]([O-])=O

InChIKey

InChIKey=YKOTUJQXDKZHFK-UHFFFAOYSA-N

Formula

C17H11BrN2O5

Mass

403.188

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - 1-benzopyran - Benzopyran - Nitrobenzene - Phenol ether - Nitroaromatic compound - Anisole - Pyranone - Alkyl aryl ether - Aryl bromide - Pyran - Benzenoid - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Organic nitro compound - Shiff base - Lactone - C-nitro compound - Aldimine - Oxacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Imine - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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