Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC1=CN=CC=C1)C(=O)OCC1=CN=CC=C1

InChIKey

InChIKey=NNYRXKJXRIVARX-UHFFFAOYSA-N

Formula

C22H20N2O5

Mass

392.411

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Phthalic acid and derivatives - Phthalate esters

Direct Parent

m-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.

External Descriptors

Not available

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