Compound Identification
SMILES
CCOC(=O)C1=C(Cl)C=CC(N\C=C2/C(C)=NN(C2=O)C2=CC=C(F)C=C2)=C1
InChIKey
InChIKey=UIVKKUAXCJYRCJ-GZTJUZNOSA-N
Formula
C20H17ClFN3O3
Mass
401.82
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
2-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Chlorobenzenes Fluorobenzenes Pyrazolones Aryl chlorides Aryl fluorides Vinylogous amides Vinylogous halides Carboxylic acid esters Azacyclic compounds Allylamines Enamines Organochlorides Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Pyrazolinone - Aryl halide - Pyrazoline - Vinylogous amide - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Allylamine - Enamine - Amine - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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