[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 2-ethoxypyridine-3-carboxylate

Systemtic Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxidanylidene-propyl] 2-ethoxypyridine-3-carboxylate Openeye Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxo-propyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OCC(=O)C(C#N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H16N4O4/c1-2-26-18-12(6-5-9-21-18)19(25)27-11-16(24)13(10-20)17-22-14-7-3-4-8-15(14)23-17/h3-9,13H,2,11H2,1H3,(H,22,23)