Compound Identification
SMILES
FC1=NC2=C(N=CN2[C@@H]2CC(F)(F)[C@H](COC(=O)C3=CC=CC=C3)O2)C(Cl)=N1
InChIKey
InChIKey=JLWUEBVRWCIOFJ-QWRGUYRKSA-N
Formula
C17H12ClF3N4O3
Mass
412.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Purines and purine derivatives Benzoyl derivatives 2-halopyrimidines Aryl chlorides Aryl fluorides N-substituted imidazoles Oxolanes Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organochlorides Organofluorides Alkyl fluorides Organonitrogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Purine - Imidazopyrimidine - Benzoyl - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Oxolane - Imidazole - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - 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