Structure Information
Structure

Compound Identification

SMILES

NC(=O)C(C#N)=C1OC(=O)C2=C1C=C(C=C2)[N+]([O-])=O

InChIKey

InChIKey=KOFGLANTJRUERO-UHFFFAOYSA-N

Formula

C11H5N3O5

Mass

259.177

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isocoumarans

Subclass

Isobenzofuranones

Intermediate Tree Nodes

Not available

Direct Parent

Isobenzofuranones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isobenzofuranone - Nitroaromatic compound - Benzenoid - Enol ester - Carboxamide group - Carboxylic acid ester - Lactone - C-nitro compound - Primary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Organopnictogen compound - Cyanide - Carbonyl group - Organic nitrogen compound - Organic salt - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isobenzofuranones. These are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position.

External Descriptors

Not available

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