5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate

Systemtic Name: 5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Openeye Name: 5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate CAS Name: 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridin-6-olate IUPAC Name: 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Traditional Name: 5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridin-6-olate Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4/c1-25-14-9-11(5-6-13(14)22)15-12(10-19)17(23)20-18(24)16(15)21-7-3-2-4-8-21/h2-9,15-16H,1H3,(H2-,20,22,23,24)