Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C(CC=C)(CC1=CN=C2N=C(N)N=C(N)C2=C1C)C(=O)OC
InChIKey
InChIKey=XNQQHIVPHFEYAT-UHFFFAOYSA-N
Formula
C23H25N5O4
Mass
435.484
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
Pyrido[2,3-d]pyrimidines Benzoyl derivatives Methylpyridines Fatty acid esters Aminopyrimidines and derivatives Imidolactams Methyl esters Heteroaromatic compounds Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[2,3-d]pyrimidine - Benzoate ester - Pyridopyrimidine - Benzoyl - Aminopyrimidine - Methylpyridine - Fatty acid ester - Fatty acyl - Imidolactam - Pyrimidine - Pyridine - Heteroaromatic compound - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - 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