[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] pyridine-4-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] pyridine-4-carboxylate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C17H12N4O3 MolecularWeight: 320.30218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)C3=CC=NC=C3)N2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)C3=CC=NC=C3)N2

InChI

InChI=1S/C17H12N4O3/c18-9-12(16-20-13-3-1-2-4-14(13)21-16)15(22)10-24-17(23)11-5-7-19-8-6-11/h1-8,20-21H,10H2