(4-nitrophenyl)methyl 2-aminocarbonyl-1-[5-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-4-oxidanyl-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-aminocarbonyl-1-[5-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]-4-oxidanyl-pyrrolidin-1-ium-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-carbamoyl-4-hydroxy-1-[5-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]pyrrolidin-1-ium-1-carboxylate CAS Name: 2-carbamoyl-4-hydroxy-1-[5-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]-1-pyrrolidin-1-iumcarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-carbamoyl-4-hydroxy-1-[5-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 2-carbamoyl-4-hydroxy-1-[5-(4-nitrobenzyl)oxycarbonylpyrrolidin-3-yl]pyrrolidin-1-ium-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H28N5O10+ MolecularWeight: 558.51732

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+]3(CC(CC3C(=O)N)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(CNC1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+]3(CC(CC3C(=O)N)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O10/c26-23(32)22-10-20(31)12-30(22,25(34)40-14-16-3-7-18(8-4-16)29(37)38)19-9-21(27-11-19)24(33)39-13-15-1-5-17(6-2-15)28(35)36/h1-8,19-22,27,31H,9-14H2,(H-,26,32)/p+1