(4-nitrophenyl)methyl 2-methylsulfonyloxy-2-(2-oxidanylideneimidazolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-methylsulfonyloxy-2-(2-oxidanylideneimidazolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-methylsulfonyloxy-2-(2-oxoimidazolidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-methylsulfonyloxy-2-[oxo-(2-oxo-1-imidazolidinyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-methylsulfonyloxy-2-(2-oxoimidazolidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-(2-ketoimidazolidine-1-carbonyl)-2-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)OC1(CCCN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCNC3=O

Isomeric SMILES

CS(=O)(=O)OC1(CCCN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCNC3=O

InChI

InChI=1S/C17H20N4O9S/c1-31(27,28)30-17(14(22)19-10-8-18-15(19)23)7-2-9-20(17)16(24)29-11-12-3-5-13(6-4-12)21(25)26/h3-6H,2,7-11H2,1H3,(H,18,23)