Structure Information
Structure

Compound Identification

SMILES

NC1=C(C(=O)OC2=C1C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=JMEGWCRHIMFPBR-UHFFFAOYSA-N

Formula

C9H5N3O6

Mass

251.154

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