(3R,4R)-4-(4-nitrophenyl)-6-oxidanyl-2-oxidanylidene-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (3R,4R)-4-(4-nitrophenyl)-6-oxidanyl-2-oxidanylidene-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (3R,4R)-6-hydroxy-4-(4-nitrophenyl)-2-oxo-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridine-5-carbonitrile CAS Name: (3R,4R)-6-hydroxy-4-(4-nitrophenyl)-2-oxo-1-phenethyl-3-(1-pyridin-1-iumyl)-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (3R,4R)-6-hydroxy-4-(4-nitrophenyl)-2-oxo-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (3R,4R)-6-hydroxy-2-keto-4-(4-nitrophenyl)-1-phenethyl-3-pyridin-1-ium-1-yl-3,4-dihydropyridine-5-carbonitrile Formula: C25H21N4O4+ MolecularWeight: 441.45864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C(C(C(=C2O)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@@H]([C@@H](C(=C2O)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/p+1/t22-,23-/m1/s1