[2-methoxy-4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenyl] pyridine-4-carboxylate

Systemtic Name: [2-methoxy-4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenyl] pyridine-4-carboxylate Openeye Name: [2-methoxy-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-methoxy-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(2-keto-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NC2=CC3=C(C=C2)NC(=O)N3)OC(=O)C4=CC=NC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C=NC2=CC3=C(C=C2)NC(=O)N3)OC(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H16N4O4/c1-28-19-10-13(2-5-18(19)29-20(26)14-6-8-22-9-7-14)12-23-15-3-4-16-17(11-15)25-21(27)24-16/h2-12H,1H3,(H2,24,25,27)