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

Systemtic Name: 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-5-nitro-benzoic acid Openeye Name: 2-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]-3-methyl-5-nitro-benzoic acid CAS Name: 3-methyl-2-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]oxy]-5-nitrobenzoic acid IUPAC Name: 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-5-nitrobenzoic acid Traditional Name: 2-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]-3-methyl-5-nitro-benzoic acid Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)OC2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)[N+](=O)[O-])C(=O)O)OC2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H24N2O7/c1-11-9-12(20(24)25)10-14(16(21)22)15(11)26-13-5-7-19(8-6-13)17(23)27-18(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,21,22)