Compound Identification
SMILES
COC(=O)C(C)(C)OC(=O)C1=CC(N2C(=O)C=C(C)N(C)C2=O)=C(F)C=C1C#N
InChIKey
InChIKey=YQGBAPFLXPSNGC-UHFFFAOYSA-N
Formula
C19H18FN3O6
Mass
403.366
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
-
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
4-halobenzoic acids and derivatives Benzonitriles Benzoyl derivatives Pyrimidones Fluorobenzenes Aryl fluorides Hydropyrimidines Methyl esters Vinylogous amides Heteroaromatic compounds Lactams Ureas Azacyclic compounds Monocarboxylic acids and derivatives Nitriles Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzonitrile - Benzoyl - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Urea - Lactam - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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