[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=C(N=CC=C1)N2C=NC=N2

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=C(N=CC=C1)N2C=NC=N2

InChI

InChI=1S/C13H11N5O3/c1-2-5-15-11(19)7-21-13(20)10-4-3-6-16-12(10)18-9-14-8-17-18/h1,3-4,6,8-9H,5,7H2,(H,15,19)