(4-nitrophenyl)methyl 2-[[2,4-bis(oxidanylidene)imidazolidin-1-yl]methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[2,4-bis(oxidanylidene)imidazolidin-1-yl]methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[(2,4-dioxo-1-imidazolidinyl)methyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[(2,4-diketoimidazolidin-1-yl)methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H20N4O9S MolecularWeight: 456.4271

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3CC(=O)NC3=O

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3CC(=O)NC3=O

InChI

InChI=1S/C17H20N4O9S/c1-31(27,28)30-14-6-13(7-19-9-15(22)18-16(19)23)20(8-14)17(24)29-10-11-2-4-12(5-3-11)21(25)26/h2-5,13-14H,6-10H2,1H3,(H,18,22,23)