tert-butyl 4-[3-[(4-nitrophenyl)methoxycarbonylamino]propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(4-nitrophenyl)methoxycarbonylamino]propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(4-nitrophenyl)methoxycarbonylamino]propyl]piperazine-1-carboxylate CAS Name: 4-[3-[[(4-nitrophenyl)methoxy-oxomethyl]amino]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(4-nitrophenyl)methoxycarbonylamino]propyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(4-nitrobenzyl)oxycarbonylamino]propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30N4O6 MolecularWeight: 422.4754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O6/c1-20(2,3)30-19(26)23-13-11-22(12-14-23)10-4-9-21-18(25)29-15-16-5-7-17(8-6-16)24(27)28/h5-8H,4,9-15H2,1-3H3,(H,21,25)