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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(tert-butylamino)-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)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-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-butylamino)-2-keto-ethyl] ester Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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