(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-nitrophenyl)pyrrolidine-3-carboxylate

Systemtic Name: (3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-nitrophenyl)pyrrolidine-3-carboxylate Openeye Name: (3S,4R)-1-tert-butoxycarbonyl-4-(2-nitrophenyl)pyrrolidine-3-carboxylate CAS Name: (3S,4R)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(2-nitrophenyl)-3-pyrrolidinecarboxylate IUPAC Name: (3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-nitrophenyl)pyrrolidine-3-carboxylate Traditional Name: (3S,4R)-1-tert-butoxycarbonyl-4-(2-nitrophenyl)pyrrolidine-3-carboxylate Formula: C16H19N2O6- MolecularWeight: 335.33186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)C(=O)[O-])C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)[O-])C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O6/c1-16(2,3)24-15(21)17-8-11(12(9-17)14(19)20)10-6-4-5-7-13(10)18(22)23/h4-7,11-12H,8-9H2,1-3H3,(H,19,20)/p-1/t11-,12+/m0/s1