[2,6-dimethyl-4-(3-nitrophenyl)-5-phenylmethoxycarbonyloxy-1,4-dihydropyridin-3-yl] 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecakis(fluoranyl)nonyl carbonate

Systemtic Name: [2,6-dimethyl-4-(3-nitrophenyl)-5-phenylmethoxycarbonyloxy-1,4-dihydropyridin-3-yl] 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecakis(fluoranyl)nonyl carbonate Openeye Name: benzyl [2,6-dimethyl-4-(3-nitrophenyl)-5-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxycarbonyloxy)-1,4-dihydropyridin-3-yl] carbonate CAS Name: carbonic acid [2,6-dimethyl-4-(3-nitrophenyl)-5-[oxo(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)methoxy]-1,4-dihydropyridin-3-yl] (phenylmethyl) ester IUPAC Name: benzyl [2,6-dimethyl-4-(3-nitrophenyl)-5-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxycarbonyloxy)-1,4-dihydropyridin-3-yl] carbonate Traditional Name: carbonic acid benzyl [2,6-dimethyl-4-(3-nitrophenyl)-5-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxycarbonyloxy)-1,4-dihydropyridin-3-yl] ester Formula: C31H25F13N2O8 MolecularWeight: 800.518042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)OC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])OC(=O)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

CC1=C(C(C(=C(N1)C)OC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])OC(=O)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C31H25F13N2O8/c1-16-22(53-24(47)51-13-7-12-26(32,33)27(34,35)28(36,37)29(38,39)30(40,41)31(42,43)44)21(19-10-6-11-20(14-19)46(49)50)23(17(2)45-16)54-25(48)52-15-18-8-4-3-5-9-18/h3-6,8-11,14,21,45H,7,12-13,15H2,1-2H3