O5-[2-[4-[(2R)-2,3-bis[(3,5-dinitrophenyl)carbonyloxy]propoxy]phenyl]ethyl] O3-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-[2-[4-[(2R)-2,3-bis[(3,5-dinitrophenyl)carbonyloxy]propoxy]phenyl]ethyl] O3-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[2-[4-[(2R)-2,3-bis[(3,5-dinitrobenzoyl)oxy]propoxy]phenyl]ethyl] O3-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-[4-[(2R)-2,3-bis[(3,5-dinitrophenyl)-oxomethoxy]propoxy]phenyl]ethyl] ester O3-methyl ester IUPAC Name: 5-O-[2-[4-[(2R)-2,3-bis[(3,5-dinitrobenzoyl)oxy]propoxy]phenyl]ethyl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-[4-[(2R)-2,3-bis[(3,5-dinitrobenzoyl)oxy]propoxy]phenyl]ethyl] ester O3-methyl ester Formula: C41H34N6O19 MolecularWeight: 914.73746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)OCC(COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@H](C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)OC[C@H](COC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C41H34N6O19/c1-22-35(40(50)62-3)37(25-5-4-6-28(13-25)43(52)53)36(23(2)42-22)41(51)63-12-11-24-7-9-33(10-8-24)64-20-34(66-39(49)27-16-31(46(58)59)19-32(17-27)47(60)61)21-65-38(48)26-14-29(44(54)55)18-30(15-26)45(56)57/h4-10,13-19,34,37,42H,11-12,20-21H2,1-3H3/t34-,37-/m1/s1