(2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-(2-nitrophenyl)ethanoate

Systemtic Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-(2-nitrophenyl)ethanoate Openeye Name: (2R)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-(2-nitrophenyl)acetate CAS Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]-2-(2-nitrophenyl)acetate IUPAC Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-(2-nitrophenyl)acetate Traditional Name: (2R)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-(2-nitrophenyl)acetate Formula: C17H23N3O6 MolecularWeight: 365.38102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)[C@H](C2=CC=CC=C2[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H23N3O6/c1-17(2,3)26-16(23)19-10-8-18(9-11-19)14(15(21)22)12-6-4-5-7-13(12)20(24)25/h4-7,14H,8-11H2,1-3H3,(H,21,22)/t14-/m1/s1