(4-nitrophenyl)methyl 2-[[2,5-bis(oxidanylidene)pyrrolidin-3-yl]methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[2,5-bis(oxidanylidene)pyrrolidin-3-yl]methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2,5-dioxopyrrolidin-3-yl)methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[(2,5-dioxo-3-pyrrolidinyl)methyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2,5-dioxopyrrolidin-3-yl)methyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[(2,5-diketopyrrolidin-3-yl)methyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H21N3O9S MolecularWeight: 455.43904

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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-])CC3CC(=O)NC3=O

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC3CC(=O)NC3=O

InChI

InChI=1S/C18H21N3O9S/c1-31(27,28)30-15-8-14(6-12-7-16(22)19-17(12)23)20(9-15)18(24)29-10-11-2-4-13(5-3-11)21(25)26/h2-5,12,14-15H,6-10H2,1H3,(H,19,22,23)