[2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyloxy-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-propan-2-yloxycarbonyloxy-1,4-dihydropyridin-3-yl] 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecakis(fluoranyl)nonyl carbonate Openeye Name: [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] isopropyl carbonate CAS Name: carbonic acid [2,6-dimethyl-4-(3-nitrophenyl)-5-[oxo(propan-2-yloxy)methoxy]-1,4-dihydropyridin-3-yl] 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl ester IUPAC Name: [2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyloxy-1,4-dihydropyridin-3-yl] 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl carbonate Traditional Name: carbonic acid [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] isopropyl ester Formula: C27H25F13N2O8 MolecularWeight: 752.475242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)OC(=O)OC(C)C)C2=CC(=CC=C2)[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)OC(C)C)C2=CC(=CC=C2)[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/C27H25F13N2O8/c1-12(2)48-21(44)50-19-14(4)41-13(3)18(17(19)15-7-5-8-16(11-15)42(45)46)49-20(43)47-10-6-9-22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h5,7-8,11-12,17,41H,6,9-10H2,1-4H3