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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H12N6O3 MolecularWeight: 300.27278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C13H12N6O3/c14-4-2-6-16-11(20)7-22-13(21)10-3-1-5-17-12(10)19-9-15-8-18-19/h1,3,5,8-9H,2,6-7H2,(H,16,20)