(2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-(3-nitrophenyl)ethanoate

Systemtic Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-(3-nitrophenyl)ethanoate Openeye Name: (2R)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-(3-nitrophenyl)acetate CAS Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]-2-(3-nitrophenyl)acetate IUPAC Name: (2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-(3-nitrophenyl)acetate Traditional Name: (2R)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-(3-nitrophenyl)acetate Formula: C17H23N3O6 MolecularWeight: 365.38102

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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)19-9-7-18(8-10-19)14(15(21)22)12-5-4-6-13(11-12)20(24)25/h4-6,11,14H,7-10H2,1-3H3,(H,21,22)/t14-/m1/s1