Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC(C)=O)C2=C(C(=O)OC2)C(=C1OC)[N+]([O-])=O

InChIKey

InChIKey=FJJDVXXCGAYAKG-UHFFFAOYSA-N

Formula

C12H12N2O7

Mass

296.235

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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

Phthalides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalide - N-acetylarylamine - Methoxyaniline - Nitroaromatic compound - Anisole - N-arylamide - Alkyl aryl ether - Benzenoid - Acetamide - Carboxamide group - Carboxylic acid ester - Lactone - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.

External Descriptors

Not available

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