tert-butyl 1-[4-(2-methoxy-2-oxidanylidene-ethoxy)-3-nitro-phenoxy]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[4-(2-methoxy-2-oxidanylidene-ethoxy)-3-nitro-phenoxy]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[4-(2-methoxy-2-oxo-ethoxy)-3-nitro-phenoxy]piperidin-1-ium-1-carboxylate CAS Name: 1-[4-(2-methoxy-2-oxoethoxy)-3-nitrophenoxy]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-(2-methoxy-2-oxoethoxy)-3-nitrophenoxy]piperidin-1-ium-1-carboxylate Traditional Name: 1-[4-(2-keto-2-methoxy-ethoxy)-3-nitro-phenoxy]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C19H27N2O8+ MolecularWeight: 411.42628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)OC2=CC(=C(C=C2)OCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)OC2=CC(=C(C=C2)OCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H27N2O8/c1-19(2,3)28-18(23)21(10-6-5-7-11-21)29-14-8-9-16(15(12-14)20(24)25)27-13-17(22)26-4/h8-9,12H,5-7,10-11,13H2,1-4H3/q+1