[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3

InChI

InChI=1S/C18H16N4O5/c1-25-12-5-6-16(26-2)14(8-12)15(23)9-27-18(24)13-4-3-7-20-17(13)22-11-19-10-21-22/h3-8,10-11H,9H2,1-2H3