Compound Identification
SMILES
CN[C@@H](CC1=CC(C(=O)OC)=C(O)C=C1)C(C)=O
InChIKey
InChIKey=ASSZWUKZWNOLAZ-NSHDSACASA-N
Formula
C13H17NO4
Mass
251.282
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzoic acid esters
- Level 6 o-Hydroxybenzoic acid esters
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Level 5
Benzoic acid esters
-
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
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
Salicylic acid and derivatives Amphetamines and derivatives Benzoyl derivatives Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Methyl esters Alpha-amino ketones Amino acids and derivatives Dialkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Amphetamine or derivatives - Salicylic acid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Alpha-aminoketone - Vinylogous acid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
External Descriptors
Not available