(4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate CAS Name: 4-methylsulfonyloxy-2-(phenoxymethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(phenoxymethyl)pyrrolidine-1-carboxylate Traditional Name: 4-methylsulfonyloxy-2-(phenoxymethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H22N2O8S MolecularWeight: 450.46228

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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-])COC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O8S/c1-31(26,27)30-19-11-17(14-28-18-5-3-2-4-6-18)21(12-19)20(23)29-13-15-7-9-16(10-8-15)22(24)25/h2-10,17,19H,11-14H2,1H3