(2S,4S)-4-(3-methyl-4-nitro-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S,4S)-4-(3-methyl-4-nitro-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Openeye Name: (2S,4S)-1-tert-butoxycarbonyl-4-(3-methyl-4-nitro-phenoxy)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(3-methyl-4-nitrophenoxy)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S,4S)-4-(3-methyl-4-nitrophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-tert-butoxycarbonyl-4-(3-methyl-4-nitro-phenoxy)pyrrolidine-2-carboxylate Formula: C17H21N2O7- MolecularWeight: 365.35784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O7/c1-10-7-11(5-6-13(10)19(23)24)25-12-8-14(15(20)21)18(9-12)16(22)26-17(2,3)4/h5-7,12,14H,8-9H2,1-4H3,(H,20,21)/p-1/t12-,14-/m0/s1