2-[[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]methoxy]ethanoic acid

Systemtic Name: 2-[[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]methoxy]ethanoic acid Openeye Name: 2-[[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]methoxy]acetic acid CAS Name: 2-[[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]methoxy]acetic acid IUPAC Name: 2-[[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]methoxy]acetic acid Traditional Name: 2-[[4-methylsulfonyloxy-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]methoxy]acetic acid Formula: C16H20N2O10S MolecularWeight: 432.4024

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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-])COCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O10S/c1-29(24,25)28-14-6-13(9-26-10-15(19)20)17(7-14)16(21)27-8-11-2-4-12(5-3-11)18(22)23/h2-5,13-14H,6-10H2,1H3,(H,19,20)