2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-nitro-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-nitro-phenoxy]ethanoic acid Openeye Name: 2-[4-(1-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-nitro-phenoxy]acetic acid CAS Name: 2-[4-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]-2-nitrophenoxy]acetic acid IUPAC Name: 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-nitrophenoxy]acetic acid Traditional Name: 2-[4-(1-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-nitro-phenoxy]acetic acid Formula: C17H24N3O7+ MolecularWeight: 382.38836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O7/c1-17(2,3)27-16(23)20(8-6-18-7-9-20)12-4-5-14(26-11-15(21)22)13(10-12)19(24)25/h4-5,10,18H,6-9,11H2,1-3H3/p+1