Structure Information
Structure

Compound Identification

SMILES

CN(C)C1=C(C(=O)OC2=C1C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=AOJKSZBTTLEHBZ-UHFFFAOYSA-N

Formula

C11H9N3O6

Mass

279.208

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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 - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Pyran - Benzenoid - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Lactone - C-nitro compound - Tertiary amine - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic salt - Organic nitrogen 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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