(4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxylate CAS Name: 4-methylsulfonyloxy-2-(1H-1,2,4-triazol-5-yl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxylate Traditional Name: 4-methylsulfonyloxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H17N5O7S MolecularWeight: 411.38978

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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-])C3=NC=NN3

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC=NN3

InChI

InChI=1S/C15H17N5O7S/c1-28(24,25)27-12-6-13(14-16-9-17-18-14)19(7-12)15(21)26-8-10-2-4-11(5-3-10)20(22)23/h2-5,9,12-13H,6-8H2,1H3,(H,16,17,18)