ethyl 5-cyano-6-methyl-2-(1-methylpyridin-1-ium-2-yl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate chloride

Systemtic Name: ethyl 5-cyano-6-methyl-2-(1-methylpyridin-1-ium-2-yl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate chloride Openeye Name: ethyl 5-cyano-6-methyl-2-(1-methylpyridin-1-ium-2-yl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate chloride CAS Name: 5-cyano-6-methyl-2-(1-methyl-2-pyridin-1-iumyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-cyano-6-methyl-2-(1-methylpyridin-1-ium-2-yl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate chloride Traditional Name: 5-cyano-6-methyl-2-(1-methylpyridin-1-ium-2-yl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester chloride Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O4.ClH/c1-4-30-22(27)20-19(15-8-7-9-16(12-15)26(28)29)17(13-23)14(2)24-21(20)18-10-5-6-11-25(18)3;/h5-12,19H,4H2,1-3H3;1H