(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-tert-butoxycarbonyl-2-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-[(3-nitrophenyl)methyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-tert-butoxycarbonyl-2-(3-nitrobenzyl)pyrrolidine-2-carboxylate Formula: C17H21N2O6- MolecularWeight: 349.35844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1(CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H22N2O6/c1-16(2,3)25-15(22)18-9-5-8-17(18,14(20)21)11-12-6-4-7-13(10-12)19(23)24/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,20,21)/p-1/t17-/m0/s1