[4-[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-2-cyano-3-morpholino-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(E)-2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(E)-2-cyano-3-keto-3-morpholino-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCOCC2)OC(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCOCC2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H19N3O5/c1-27-19-12-15(11-17(13-22)20(25)24-7-9-28-10-8-24)4-5-18(19)29-21(26)16-3-2-6-23-14-16/h2-6,11-12,14H,7-10H2,1H3/b17-11+