Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(NC1=CC=CC=C1)C=C(C#N)C#N

InChIKey

InChIKey=WELKAHLEYPCKHX-UHFFFAOYSA-N

Formula

C13H11N3O2

Mass

241.25

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alpha-amino acid ester - Aniline or substituted anilines - Phenylalkylamine - Fatty acid ester - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Cyanide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

External Descriptors

Not available

Previous Back Next