[4-[(Z)-2-cyano-2-pyridin-2-yl-ethenyl]-2-methoxy-phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(Z)-2-cyano-2-pyridin-2-yl-ethenyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(Z)-2-cyano-2-(2-pyridyl)vinyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(Z)-2-cyano-2-(2-pyridinyl)ethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(Z)-2-cyano-2-(2-pyridyl)vinyl]-2-methoxy-phenyl] ester Formula: C21H15N3O3 MolecularWeight: 357.3621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=N2)OC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=CC=CC=N2)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H15N3O3/c1-26-20-13-15(12-17(14-22)18-4-2-3-9-24-18)5-6-19(20)27-21(25)16-7-10-23-11-8-16/h2-13H,1H3/b17-12+