diethyl 2-[(3-aminocarbonylpyridin-1-ium-1-yl)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[(3-aminocarbonylpyridin-1-ium-1-yl)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(3-carbamoyl-1-pyridin-1-iumyl)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]-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)C[N+]3=CC=CC(=C3)C(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O7/c1-4-35-24(31)20-15(3)27-19(14-28-11-7-9-17(13-28)23(26)30)22(25(32)36-5-2)21(20)16-8-6-10-18(12-16)29(33)34/h6-13,21H,4-5,14H2,1-3H3,(H2-,26,27,30,31,32)/p+1