(2S,4S)-4-(2-chloranyl-4-nitro-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S,4S)-4-(2-chloranyl-4-nitro-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Openeye Name: (2S,4S)-1-tert-butoxycarbonyl-4-(2-chloro-4-nitro-phenoxy)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(2-chloro-4-nitrophenoxy)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S,4S)-4-(2-chloro-4-nitrophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-tert-butoxycarbonyl-4-(2-chloro-4-nitro-phenoxy)pyrrolidine-2-carboxylate Formula: C16H18ClN2O7- MolecularWeight: 385.77632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)[O-])OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)[O-])OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H19ClN2O7/c1-16(2,3)26-15(22)18-8-10(7-12(18)14(20)21)25-13-5-4-9(19(23)24)6-11(13)17/h4-6,10,12H,7-8H2,1-3H3,(H,20,21)/p-1/t10-,12-/m0/s1