Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(O)=C1CC=NO

InChIKey

InChIKey=BESNZBWNCWKABA-UHFFFAOYSA-N

Formula

C12H13NO5

Mass

251.238

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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

Anisoles Phenols Alkyl aryl ethers Vinylogous acids Lactones Carboxylic acid esters Aldoximes Oxacyclic compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalide - Anisole - Phenol ether - Alkyl aryl ether - Phenol - Benzenoid - Vinylogous acid - Carboxylic acid ester - Lactone - Aldoxime - Oxime - Ether - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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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