(4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate CAS Name: 4-methylsulfonyloxy-2-(1-pyrazolylmethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate Traditional Name: 4-methylsulfonyloxy-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H20N4O7S MolecularWeight: 424.4283

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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-])CN3C=CC=N3

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CN3C=CC=N3

InChI

InChI=1S/C17H20N4O7S/c1-29(25,26)28-16-9-15(10-19-8-2-7-18-19)20(11-16)17(22)27-12-13-3-5-14(6-4-13)21(23)24/h2-8,15-16H,9-12H2,1H3