5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-nitro-4-oxidanyl-benzoic acid

Systemtic Name: 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-nitro-4-oxidanyl-benzoic acid Openeye Name: 5-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]-4-hydroxy-2-nitro-benzoic acid CAS Name: 4-hydroxy-5-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]oxy]-2-nitrobenzoic acid IUPAC Name: 4-hydroxy-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-nitrobenzoic acid Traditional Name: 5-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]-4-hydroxy-2-nitro-benzoic acid Formula: C17H22N2O8 MolecularWeight: 382.36518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=C(C(=C2)C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=C(C(=C2)C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C17H22N2O8/c1-17(2,3)27-16(23)18-6-4-10(5-7-18)26-14-8-11(15(21)22)12(19(24)25)9-13(14)20/h8-10,20H,4-7H2,1-3H3,(H,21,22)