tert-butyl 4-[1-(2-nitrophenyl)piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(2-nitrophenyl)piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-nitrophenyl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-nitrophenyl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-nitrophenyl)isonipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O5/c1-21(2,3)30-20(27)24-14-12-23(13-15-24)19(26)16-8-10-22(11-9-16)17-6-4-5-7-18(17)25(28)29/h4-7,16H,8-15H2,1-3H3