bis[(4-nitrophenyl)methyl] 3-[1-(hydroxymethyl)pyrrolidin-2-yl]-4-oxidanyl-pyrrolidin-1-ium-1,1-dicarboxylate

Systemtic Name: bis[(4-nitrophenyl)methyl] 3-[1-(hydroxymethyl)pyrrolidin-2-yl]-4-oxidanyl-pyrrolidin-1-ium-1,1-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 3-hydroxy-4-[1-(hydroxymethyl)pyrrolidin-2-yl]pyrrolidin-1-ium-1,1-dicarboxylate CAS Name: 3-hydroxy-4-[1-(hydroxymethyl)-2-pyrrolidinyl]pyrrolidin-1-ium-1,1-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 3-hydroxy-4-[1-(hydroxymethyl)pyrrolidin-2-yl]pyrrolidin-1-ium-1,1-dicarboxylate Traditional Name: 3-hydroxy-4-(1-methylolpyrrolidin-2-yl)pyrrolidin-1-ium-1,1-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C25H29N4O10+ MolecularWeight: 545.51856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CO)C2C[N+](CC2O)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(N(C1)CO)C2C[N+](CC2O)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N4O10/c30-16-26-11-1-2-22(26)21-12-29(13-23(21)31,24(32)38-14-17-3-7-19(8-4-17)27(34)35)25(33)39-15-18-5-9-20(10-6-18)28(36)37/h3-10,21-23,30-31H,1-2,11-16H2/q+1