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

Systemtic Name: 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]oxy-2-nitro-phenoxy]ethanoic acid Openeye Name: 2-[4-(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)oxy-2-nitro-phenoxy]acetic acid CAS Name: 2-[4-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolidin-1-iumyl]oxy]-2-nitrophenoxy]acetic acid IUPAC Name: 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]oxy-2-nitrophenoxy]acetic acid Traditional Name: 2-[4-(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)oxy-2-nitro-phenoxy]acetic acid Formula: C17H23N2O8+ MolecularWeight: 383.37312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1)OC2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1)OC2=CC(=C(C=C2)OCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O8/c1-17(2,3)26-16(22)19(8-4-5-9-19)27-12-6-7-14(25-11-15(20)21)13(10-12)18(23)24/h6-7,10H,4-5,8-9,11H2,1-3H3/p+1