Compound Identification
SMILES
COC(=O)C1=CC(=CC=C1)C1NC(=O)NC(C)=C1C(=O)NC1=CC2=C(NN=C2)C=C1
InChIKey
InChIKey=YIBRZLUNWZMLMU-UHFFFAOYSA-N
Formula
C21H19N5O4
Mass
405.414
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
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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
Indazoles N-arylamides Benzoyl derivatives Pyrimidones Hydropyrimidines Vinylogous amides Pyrazoles Methyl esters Heteroaromatic compounds Ureas Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzopyrazole - Indazole - Benzoyl - N-arylamide - Pyrimidone - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Methyl ester - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Urea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - 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