Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(C=C1)C1OC2(OC(=N)C(C#N)(C2C)C1(C#N)C#N)C1=CC=C(C)C=C1

InChIKey

InChIKey=WRCFZPNUXOSWNE-UHFFFAOYSA-N

Formula

C25H20N4O4

Mass

440.459

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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

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - Benzoyl - 1,3-dioxepane - Ketal - Dioxepane - Toluene - Oxane - Oxolane - Methyl ester - Carboxylic acid ester - Imido ester - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Cyanide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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