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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-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-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O4/c1-15(2,3)20-14(24)19-11(22)7-25-13(23)10-5-4-6-17-12(10)21-9-16-8-18-21/h4-6,8-9H,7H2,1-3H3,(H2,19,20,22,24)