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The single-crystal X-ray structures of three oxidation products of 4-(3-nitrophenyl)-1,4-dihydropyridine, namely, 3-ethoxycarbonyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridinium nitrate, C18H19N2O6+.NO3-, dineopentyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, C25H32N2O6, and dihexyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate, C27H36N2O6, suggest that their decreased calcium-blocking activity arises from incompatibility of the phenyl ring and ester conformation with the receptor site.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks global, holt1, holt2, holt3

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Supplementary material

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Supplementary material

CCDC references: 128455; 128456; 128457

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