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

Systemtic Name: ethyl 5-cyano-6-methyl-4-(3-nitrophenyl)-2-(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3-carboxylate chloride Openeye Name: ethyl 5-cyano-6-methyl-4-(3-nitrophenyl)-2-(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3-carboxylate chloride CAS Name: 5-cyano-6-methyl-4-(3-nitrophenyl)-2-(1-pyridin-1-iumylmethyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-cyano-6-methyl-4-(3-nitrophenyl)-2-(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3-carboxylate chloride Traditional Name: 5-cyano-6-methyl-4-(3-nitrophenyl)-2-(pyridin-1-ium-1-ylmethyl)-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)C[N+]3=CC=CC=C3.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O4.ClH/c1-3-30-22(27)21-19(14-25-10-5-4-6-11-25)24-15(2)18(13-23)20(21)16-8-7-9-17(12-16)26(28)29;/h4-12,20H,3,14H2,1-2H3;1H