diethyl 2-(3-aminocarbonyl-1-methyl-pyridin-1-ium-2-yl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(3-aminocarbonyl-1-methyl-pyridin-1-ium-2-yl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(3-carbamoyl-1-methyl-pyridin-1-ium-2-yl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(3-carbamoyl-1-methyl-2-pyridin-1-iumyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(3-carbamoyl-1-methylpyridin-1-ium-2-yl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(3-carbamoyl-1-methyl-pyridin-1-ium-2-yl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H27N4O7+ MolecularWeight: 495.50448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C3=C(C=CC=[N+]3C)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C3=C(C=CC=[N+]3C)C(=O)N)C

InChI

InChI=1S/C25H26N4O7/c1-5-35-24(31)18-14(3)27-21(22-17(23(26)30)11-8-12-28(22)4)20(25(32)36-6-2)19(18)15-9-7-10-16(13-15)29(33)34/h7-13,19H,5-6H2,1-4H3,(H2-,26,27,30,31,32)/p+1