Compound Identification
SMILES
Cc1cc(CNC(=O)c2nc(C(O)=O)n3nccc3n2)ccc1C(=O)OC(C)(C)C
InChIKey
InChIKey=CJNWSQXQOOZXGS-UHFFFAOYSA-N
Formula
C20H21N5O5
Mass
411.418
Taxonomic Classification
Taxonomy Tree
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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
Pyrazolotriazines Pyrazolo[1,5-a][1,3,5]triazines 2-heteroaryl carboxamides Benzoyl derivatives Toluenes 1,3,5-triazines Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Pyrazolo[1,5-a][1,3,5]triazine - Pyrazolotriazine - 2-heteroaryl carboxamide - Benzoyl - Toluene - 1,3,5-triazine - Triazine - Azole - Pyrazole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen 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