Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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