5-cyano-4-(4-nitrophenyl)-2-oxidanylidene-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridin-6-olate

Systemtic Name: 5-cyano-4-(4-nitrophenyl)-2-oxidanylidene-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridin-6-olate Openeye Name: 5-cyano-4-(4-nitrophenyl)-2-oxo-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridin-6-olate CAS Name: 5-cyano-4-(4-nitrophenyl)-2-oxo-1-phenethyl-3-(1-pyridin-1-iumyl)-3,4-dihydropyridin-6-olate IUPAC Name: 5-cyano-4-(4-nitrophenyl)-2-oxo-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridin-6-olate Traditional Name: 5-cyano-2-keto-4-(4-nitrophenyl)-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridin-6-olate Formula: C25H20N4O4 MolecularWeight: 440.4507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C(C(C(=C2[O-])C#N)C3=CC=C(C=C3)[N+](=O)[O-])[N+]4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C(C(C(=C2[O-])C#N)C3=CC=C(C=C3)[N+](=O)[O-])[N+]4=CC=CC=C4

InChI

InChI=1S/C25H20N4O4/c26-17-21-22(19-9-11-20(12-10-19)29(32)33)23(27-14-5-2-6-15-27)25(31)28(24(21)30)16-13-18-7-3-1-4-8-18/h1-12,14-15,22-23H,13,16H2