Compound Identification
SMILES
COC(=O)C1=CC=C(CON\C(CCC2=CC=C(F)C=C2)=C\C(F)=CN)C=C1
InChIKey
InChIKey=SWCJBCHFYPORTM-OFCLOJJWSA-N
Formula
C21H22F2N2O3
Mass
388.415
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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
Benzoyl derivatives Fluorobenzenes Aryl fluorides Methyl esters Amino acids and derivatives Vinyl fluorides N-organohydroxylamines Monocarboxylic acids and derivatives Fluoroalkenes Enamines Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - N-organohydroxylamine - Fluoroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Monocarboxylic acid or derivatives - Enamine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic 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