tert-butyl (2S)-2-[(4-methoxycarbonyl-2-nitro-phenoxy)methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(4-methoxycarbonyl-2-nitro-phenoxy)methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(4-methoxycarbonyl-2-nitro-phenoxy)methyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(4-methoxycarbonyl-2-nitrophenoxy)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(4-methoxycarbonyl-2-nitrophenoxy)methyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(4-carbomethoxy-2-nitro-phenoxy)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O7/c1-18(2,3)27-17(22)19-9-5-6-13(19)11-26-15-8-7-12(16(21)25-4)10-14(15)20(23)24/h7-8,10,13H,5-6,9,11H2,1-4H3/t13-/m0/s1