Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=NN(CC(=O)C2=CC3=CC=CC=C3OC2=O)C(Br)=N1

InChIKey

InChIKey=KNWGJQCLSMZBBT-UHFFFAOYSA-N

Formula

C13H7BrN4O5

Mass

379.126

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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 - Benzopyran - 1-benzopyran - Nitroaromatic compound - Aryl alkyl ketone - Aryl ketone - Pyranone - Aryl bromide - Aryl halide - Pyran - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Ketone - Lactone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organooxygen compound - Organobromide - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic salt - 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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