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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
-
Level 6
Phthalate esters
- Level 7 p-Phthalate esters
-
Level 6
Phthalate esters
-
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 N-phenylureas Benzodioxoles Benzoyl derivatives Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Ureas Acetals Oxacyclic compounds Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
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