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

Systemtic Name: [3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenyl-phosphanium iodide Openeye Name: [3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenyl-phosphonium iodide CAS Name: [3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenylphosphonium iodide IUPAC Name: [3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenylphosphanium iodide Traditional Name: [3,5-dicarbethoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenyl-phosphonium iodide Formula: C37H36IN2O6P MolecularWeight: 762.569771

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

Isomeric SMILES

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

InChI

InChI=1S/C37H35N2O6P.HI/c1-4-44-36(40)33-26(3)38-32(35(37(41)45-5-2)34(33)27-16-15-17-28(24-27)39(42)43)25-46(29-18-9-6-10-19-29,30-20-11-7-12-21-30)31-22-13-8-14-23-31;/h6-24,34H,4-5,25H2,1-3H3;1H