(2R,3R)-5-cyano-2-(4-methoxyphenyl)-4-oxidanylidene-3-pyridin-1-ium-1-yl-2,3-dihydro-1H-pyridin-6-olate

Systemtic Name: (2R,3R)-5-cyano-2-(4-methoxyphenyl)-4-oxidanylidene-3-pyridin-1-ium-1-yl-2,3-dihydro-1H-pyridin-6-olate Openeye Name: (2R,3R)-5-cyano-2-(4-methoxyphenyl)-4-oxo-3-pyridin-1-ium-1-yl-2,3-dihydro-1H-pyridin-6-olate CAS Name: (2R,3R)-5-cyano-2-(4-methoxyphenyl)-4-oxo-3-(1-pyridin-1-iumyl)-2,3-dihydro-1H-pyridin-6-olate IUPAC Name: (2R,3R)-5-cyano-2-(4-methoxyphenyl)-4-oxo-3-pyridin-1-ium-1-yl-2,3-dihydro-1H-pyridin-6-olate Traditional Name: (2R,3R)-5-cyano-4-keto-2-(4-methoxyphenyl)-3-pyridin-1-ium-1-yl-2,3-dihydro-1H-pyridin-6-olate Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)C(=C(N2)[O-])C#N)[N+]3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C(=C(N2)[O-])C#N)[N+]3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3/c1-24-13-7-5-12(6-8-13)15-16(21-9-3-2-4-10-21)17(22)14(11-19)18(23)20-15/h2-10,15-16H,1H3,(H-,20,22,23)/t15-,16-/m1/s1