(2-naphthalen-2-yl-2-oxidanylidene-ethyl) 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(2-naphthyl)-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-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 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-naphthyl)ethyl] ester Formula: C20H14N4O3 MolecularWeight: 358.35016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

InChI

InChI=1S/C20H14N4O3/c25-18(16-8-7-14-4-1-2-5-15(14)10-16)11-27-20(26)17-6-3-9-22-19(17)24-13-21-12-23-24/h1-10,12-13H,11H2