tert-butyl (2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O5/c1-20(2,3)29-19(26)23-10-4-5-17(23)18(25)22-13-11-21(12-14-22)15-6-8-16(9-7-15)24(27)28/h6-9,17H,4-5,10-14H2,1-3H3/t17-/m0/s1