Compound Identification
SMILES
COC(=O)C1=C(O)C(NC2=CC=CC=C2)=C(C(=O)OC)C(O)=C1NC1=CC=CC=C1
InChIKey
InChIKey=RMUBYGPHKUHNKI-UHFFFAOYSA-N
Formula
C22H20N2O6
Mass
408.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Phthalic acid and derivatives
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Level 6
Phthalate esters
- Level 7 p-Phthalate esters
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Level 6
Phthalate esters
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Level 5
Phthalic acid and derivatives
-
Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
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
P-phthalic acid and derivatives o-Hydroxybenzoic acid esters m-Hydroxybenzoic acid esters Aminosalicylic acids and derivatives Aminobenzoic acids and derivatives Aminohydroquinones o-Aminophenols m-Aminophenols Benzoyl derivatives P-phenylenediamines Primary aromatic amines Methyl esters Vinylogous amides Vinylogous acids Amino acids and derivatives Secondary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Aminosalicylic acid or derivatives - M-hydroxybenzoic acid ester - O-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Salicylic acid or derivatives - Benzoate ester - Aminobenzoic acid or derivatives - Aminohydroquinone - P-phenylenediamine - Aminophenol - Aniline or substituted anilines - O-aminophenol - Benzoyl - Hydroquinone - M-aminophenol - Phenylenediamine - Phenol - Primary aromatic amine - Methyl ester - Vinylogous acid - Vinylogous amide - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - 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