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

Systemtic Name: 2-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]methoxy]-2-nitro-phenoxy]ethanoic acid Openeye Name: 2-[4-[(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]-2-nitro-phenoxy]acetic acid CAS Name: 2-[4-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolidin-1-iumyl]methoxy]-2-nitrophenoxy]acetic acid IUPAC Name: 2-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]methoxy]-2-nitrophenoxy]acetic acid Traditional Name: 2-[4-[(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)methoxy]-2-nitro-phenoxy]acetic acid Formula: C18H25N2O8+ MolecularWeight: 397.3997

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1)COC2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1)COC2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O8/c1-18(2,3)28-17(23)20(8-4-5-9-20)12-27-13-6-7-15(26-11-16(21)22)14(10-13)19(24)25/h6-7,10H,4-5,8-9,11-12H2,1-3H3/p+1