diethyl 2-chloranyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 1-methylpyridin-1-ium-3-carboxamide

Systemtic Name: diethyl 2-chloranyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 1-methylpyridin-1-ium-3-carboxamide Openeye Name: diethyl 2-chloro-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 1-methylpyridin-1-ium-3-carboxamide CAS Name: 2-chloro-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester; 1-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: diethyl 2-chloro-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 1-methylpyridin-1-ium-3-carboxamide Traditional Name: 2-chloro-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester; 1-methylpyridin-1-ium-3-carboxamide Formula: C25H28ClN4O7+ MolecularWeight: 531.96542

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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)Cl)C.C[N+]1=CC=CC(=C1)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)Cl)C.C[N+]1=CC=CC(=C1)C(=O)N

InChI

InChI=1S/C18H19ClN2O6.C7H8N2O/c1-4-26-17(22)13-10(3)20-16(19)15(18(23)27-5-2)14(13)11-7-6-8-12(9-11)21(24)25;1-9-4-2-3-6(5-9)7(8)10/h6-9,14,20H,4-5H2,1-3H3;2-5H,1H3,(H-,8,10)/p+1