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

Systemtic Name: (4-nitrophenyl)methyl 2-[1-[(4-nitrophenyl)methoxycarbonyl]-3-oxidanyl-pyrrolidin-1-ium-1-yl]-1H-imidazole-5-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[3-hydroxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-1-ium-1-yl]-1H-imidazole-5-carboxylate CAS Name: 2-[3-hydroxy-1-[(4-nitrophenyl)methoxy-oxomethyl]-1-pyrrolidin-1-iumyl]-1H-imidazole-5-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-hydroxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-1-ium-1-yl]-1H-imidazole-5-carboxylate Traditional Name: 2-[3-hydroxy-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-1-ium-1-yl]-1H-imidazole-5-carboxylic acid (4-nitrobenzyl) ester Formula: C23H22N5O9+ MolecularWeight: 512.44888

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC1O)(C2=NC=C(N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[N+](CC1O)(C2=NC=C(N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O9/c29-19-9-10-28(12-19,23(31)37-14-16-3-7-18(8-4-16)27(34)35)22-24-11-20(25-22)21(30)36-13-15-1-5-17(6-2-15)26(32)33/h1-8,11,19,29H,9-10,12-14H2/p+1