Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=CC(C)=C1)C(\C#N)=C(/N=C1OC(=O)C2=CC=CC=C12)C(C)(C)C

InChIKey

InChIKey=HFCQYRTUALXUHX-XFVVYMANSA-N

Formula

C23H22N2O2

Mass

358.441

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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 - Xylene - M-xylene - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxide - 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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