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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3/c1-3-10(2)18-12(20)7-22-14(21)11-5-4-6-16-13(11)19-9-15-8-17-19/h4-6,8-10H,3,7H2,1-2H3,(H,18,20)