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

Systemtic Name: 2-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-ium-1-yl]methyl]-2-nitro-phenoxy]ethanoic acid Openeye Name: 2-[4-[(1-tert-butoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-nitro-phenoxy]acetic acid CAS Name: 2-[4-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperidin-1-iumyl]methyl]-2-nitrophenoxy]acetic acid IUPAC Name: 2-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-ium-1-yl]methyl]-2-nitrophenoxy]acetic acid Traditional Name: 2-[4-[(1-tert-butoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-nitro-phenoxy]acetic acid Formula: C19H27N2O7+ MolecularWeight: 395.42688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)CC2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)CC2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H26N2O7/c1-19(2,3)28-18(24)21(9-5-4-6-10-21)12-14-7-8-16(27-13-17(22)23)15(11-14)20(25)26/h7-8,11H,4-6,9-10,12-13H2,1-3H3/p+1