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

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)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-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)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-(2-phenoxyethylamino)ethyl] ester Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3

Isomeric SMILES

C1=CC=C(C=C1)OCCNC(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3

InChI

InChI=1S/C18H17N5O4/c24-16(20-9-10-26-14-5-2-1-3-6-14)11-27-18(25)15-7-4-8-21-17(15)23-13-19-12-22-23/h1-8,12-13H,9-11H2,(H,20,24)