O5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl] O3-ethyl 4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl] O3-ethyl 4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[2-(1,3-dioxoisoindolin-2-yl)propyl] O3-ethyl 4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-(1,3-dioxo-2-isoindolyl)propyl] ester O3-ethyl ester IUPAC Name: 5-O-[2-(1,3-dioxoisoindol-2-yl)propyl] 3-O-ethyl 4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-nitrophenyl)-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(2-phthalimidopropyl) ester Formula: C28H21F6N3O8 MolecularWeight: 641.472059

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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)N3C(=O)C4=CC=CC=C4C3=O)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC(C)N3C(=O)C4=CC=CC=C4C3=O)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C28H21F6N3O8/c1-3-44-25(40)19-18(14-7-6-8-15(11-14)37(42)43)20(22(28(32,33)34)35-21(19)27(29,30)31)26(41)45-12-13(2)36-23(38)16-9-4-5-10-17(16)24(36)39/h4-11,13,18,35H,3,12H2,1-2H3