Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC(N)=C(C=C1N)C(=O)OCC

InChIKey

InChIKey=KMKCBOQRRWZRII-UHFFFAOYSA-N

Formula

C12H16N2O4

Mass

252.27

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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 homomonocyclic compounds

Substituents

Para-phthalic acid ester - Para_phthalic_acid - Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - Vinylogous amide - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Primary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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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