Compound Identification
SMILES
CCOC(=O)C1=CC(=CC(OC2=C(F)C(C)=C(F)C(OC3=CC=CC(=C3)C#N)=N2)=C1)C(=O)OCC
InChIKey
InChIKey=FIMWHQHHFHQEDS-UHFFFAOYSA-N
Formula
C25H20F2N2O6
Mass
482.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
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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
m-Phthalate esters
Alternative Parents
M-phthalic acid and derivatives Diarylethers Benzoic acid esters Polyhalopyridines Phenoxy compounds Phenol ethers Benzoyl derivatives Benzonitriles Methylpyridines Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Diaryl ether - Benzoate ester - Phenoxy compound - Benzonitrile - Benzoyl - Polyhalopyridine - Phenol ether - Methylpyridine - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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