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

Systemtic Name: 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-ium-1-yl]-2-nitro-phenoxy]ethanoic acid Openeye Name: 2-[4-(1-tert-butoxycarbonylpiperidin-1-ium-1-yl)-2-nitro-phenoxy]acetic acid CAS Name: 2-[4-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperidin-1-iumyl]-2-nitrophenoxy]acetic acid IUPAC Name: 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-ium-1-yl]-2-nitrophenoxy]acetic acid Traditional Name: 2-[4-(1-tert-butoxycarbonylpiperidin-1-ium-1-yl)-2-nitro-phenoxy]acetic acid Formula: C18H25N2O7+ MolecularWeight: 381.4003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O7/c1-18(2,3)27-17(23)20(9-5-4-6-10-20)13-7-8-15(26-12-16(21)22)14(11-13)19(24)25/h7-8,11H,4-6,9-10,12H2,1-3H3/p+1