Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(NC(=O)NC2=CC3=C(OCO3)C=C2)=C(C=C1)C(=O)OC

InChIKey

InChIKey=LBESEAJDCNHUMQ-UHFFFAOYSA-N

Formula

C18H16N2O7

Mass

372.333

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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

p-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - N-phenylurea - Benzodioxole - Benzoyl - Dicarboxylic acid or derivatives - Vinylogous amide - Methyl ester - Carboxylic acid ester - Carbonic acid derivative - Urea - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.

External Descriptors

Not available

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