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

Systemtic Name: [2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(2-iodoanilino)-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-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-iodoanilino)-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-iodoanilino)-2-keto-ethyl] ester Formula: C16H12IN5O3 MolecularWeight: 449.20265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12IN5O3/c17-12-5-1-2-6-13(12)21-14(23)8-25-16(24)11-4-3-7-19-15(11)22-10-18-9-20-22/h1-7,9-10H,8H2,(H,21,23)