5-nitro-2-[2,2,4-trimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]quinolin-6-yl]benzoic acid

Systemtic Name: 5-nitro-2-[2,2,4-trimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]quinolin-6-yl]benzoic acid Openeye Name: 2-(1-tert-butoxycarbonyl-2,2,4-trimethyl-6-quinolyl)-5-nitro-benzoic acid CAS Name: 5-nitro-2-[2,2,4-trimethyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-6-quinolinyl]benzoic acid IUPAC Name: 5-nitro-2-[2,2,4-trimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]quinolin-6-yl]benzoic acid Traditional Name: 2-(1-tert-butoxycarbonyl-2,2,4-trimethyl-6-quinolyl)-5-nitro-benzoic acid Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O)C(=O)OC(C)(C)C)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O)C(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C24H26N2O6/c1-14-13-24(5,6)25(22(29)32-23(2,3)4)20-10-7-15(11-18(14)20)17-9-8-16(26(30)31)12-19(17)21(27)28/h7-13H,1-6H3,(H,27,28)