Compound Identification
SMILES
COC(=O)C1=CC=C(NC2=NC(=NC3=C2N=NN3CC2=CC=CC=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=MNXZCSMJODKNGG-UHFFFAOYSA-N
Formula
C20H15F3N6O2
Mass
428.375
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Triazolopyrimidines Aniline and substituted anilines Benzoyl derivatives Aminopyrimidines and derivatives Imidolactams Triazoles Methyl esters Heteroaromatic compounds Amino acids and derivatives Secondary amines Azacyclic compounds Alkyl fluorides Organofluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Triazolopyrimidine - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Pyrimidine - Imidolactam - Methyl ester - Heteroaromatic compound - 1,2,3-triazole - Triazole - Azole - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Secondary amine - Carboxylic acid derivative - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Alkyl fluoride - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available