2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-5-nitro-benzene-1,3-dicarboxylic acid

Systemtic Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-5-nitro-benzene-1,3-dicarboxylic acid Openeye Name: 2-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]-5-nitro-benzene-1,3-dicarboxylic acid CAS Name: 2-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]oxy]-5-nitrobenzene-1,3-dicarboxylic acid IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-5-nitrobenzene-1,3-dicarboxylic acid Traditional Name: 2-[(1-tert-butoxycarbonyl-4-piperidyl)oxy]-5-nitro-isophthalic acid Formula: C18H22N2O9 MolecularWeight: 410.37528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H22N2O9/c1-18(2,3)29-17(25)19-6-4-11(5-7-19)28-14-12(15(21)22)8-10(20(26)27)9-13(14)16(23)24/h8-9,11H,4-7H2,1-3H3,(H,21,22)(H,23,24)