[3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenyl-phosphanium chloride

Systemtic Name: [3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenyl-phosphanium chloride Openeye Name: [3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenyl-phosphonium chloride CAS Name: [3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenylphosphonium chloride IUPAC Name: [3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenylphosphanium chloride Traditional Name: [3-carbethoxy-5-carbomethoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenyl-phosphonium chloride Formula: C36H34ClN2O6P MolecularWeight: 657.091721

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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)OC)C)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C36H33N2O6P.ClH/c1-4-44-36(40)34-31(37-25(2)32(35(39)43-3)33(34)26-15-14-16-27(23-26)38(41)42)24-45(28-17-8-5-9-18-28,29-19-10-6-11-20-29)30-21-12-7-13-22-30;/h5-23,33H,4,24H2,1-3H3;1H