Compound Identification
SMILES
COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cnccn1
InChIKey
InChIKey=HKRIIOGOHHUDBH-UHFFFAOYSA-N
Formula
C15H14ClN3O5
Mass
351.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzoic acid esters
- Level 6 p-Hydroxybenzoic acid esters
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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
Benzoic acid esters - p-Hydroxybenzoic acid esters
Direct Parent
p-Hydroxybenzoic acid alkyl esters
Alternative Parents
o-Hydroxybenzoic acid esters 3-halobenzoic acids and derivatives Salicylic acid and derivatives Benzoyl derivatives Resorcinols N-arylamides P-chlorophenols O-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Pyrazines Imidolactams Fatty amides Aryl chlorides Methyl esters Heteroaromatic compounds Vinylogous acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-hydroxybenzoic acid alkyl ester - O-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid or derivatives - Benzoyl - N-arylamide - Resorcinol - 4-chlorophenol - 4-halophenol - 2-halophenol - 2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Chlorobenzene - Aryl chloride - Aryl halide - Fatty amide - Fatty acyl - Pyrazine - Imidolactam - Methyl ester - Vinylogous acid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group.
External Descriptors
Not available