Compound Identification
SMILES
CCOC(=O)C1=CC=C(C=C1)N1C(C2=C(C)NN=C2C1=O)C1=CC(F)=CC=C1
InChIKey
InChIKey=IYWGAWSLRXEQLV-UHFFFAOYSA-N
Formula
C21H18FN3O3
Mass
379.391
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
Pyrrolopyrazoles 2-heteroaryl carboxamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Pyrroles Pyrazoles Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Organic oxides Organooxygen compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - 2-heteroaryl carboxamide - Benzoyl - Pyrrolopyrazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Pyrazole - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - 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