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

Systemtic Name: [3-cyano-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenyl-phosphanium chloride Openeye Name: [3-cyano-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenyl-phosphonium chloride CAS Name: [3-cyano-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenylphosphonium chloride IUPAC Name: [3-cyano-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenylphosphanium chloride Traditional Name: [5-carbethoxy-3-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methyl-triphenyl-phosphonium chloride Formula: C35H31ClN3O4P MolecularWeight: 624.065101

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

Isomeric SMILES

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

InChI

InChI=1S/C35H30N3O4P.ClH/c1-3-42-35(39)33-25(2)37-32(31(23-36)34(33)26-14-13-15-27(22-26)38(40)41)24-43(28-16-7-4-8-17-28,29-18-9-5-10-19-29)30-20-11-6-12-21-30;/h4-22,34H,3,24H2,1-2H3;1H