tert-butyl 2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H27ClN4O5 MolecularWeight: 438.90518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4O5/c1-20(2,3)30-19(27)24-8-4-5-16(24)18(26)23-11-9-22(10-12-23)15-7-6-14(21)13-17(15)25(28)29/h6-7,13,16H,4-5,8-12H2,1-3H3