Compound Identification
SMILES
COC(=O)C1=CC(N\N=C(\C(C)=O)C(=O)NC2=CC=C(C)C=C2)=C(C=C1)C(=O)OC
InChIKey
InChIKey=HTWYMWUHNMQTOO-MOHJPFBDSA-N
Formula
C21H21N3O6
Mass
411.414
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
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
-
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 Benzoic acid esters Anilides Phenylhydrazines N-arylamides Benzoyl derivatives Toluenes Fatty amides Vinylogous amides Methyl esters Secondary carboxylic acid amides Ketones Hydrazones Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Anilide - Benzoyl - Phenylhydrazine - N-arylamide - Toluene - Fatty amide - Fatty acyl - Vinylogous amide - Methyl ester - Secondary carboxylic acid amide - Ketone - Carboxylic acid ester - Carboxamide group - Hydrazone - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - 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