Compound Identification
SMILES
COC(=O)C1=C(O)C2=NC=C(CC3=CC=C(F)C=C3)C=C2C(=C1)C(O)=O
InChIKey
InChIKey=KLPDVDQBLIFIEX-UHFFFAOYSA-N
Formula
C19H14FNO5
Mass
355.321
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 m-Phthalate esters
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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
m-Phthalate esters
Alternative Parents
Quinoline carboxylic acids M-phthalic acid and derivatives 8-hydroxyquinolines Salicylic acid and derivatives Fluorobenzenes Phenols Pyridines and derivatives Aryl fluorides Methyl esters Heteroaromatic compounds Vinylogous acids Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-5-carboxylic acid - Meta-phthalic acid ester - Meta_phthalic_acid - 8-hydroxyquinoline - Hydroxybenzoic acid - Quinoline - Salicylic acid or derivatives - Fluorobenzene - Halobenzene - Phenol - Pyridine - Aryl halide - Aryl fluoride - Methyl ester - Heteroaromatic compound - Vinylogous acid - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.
External Descriptors
Not available