[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl] 3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: [1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl] 3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: (1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl) 3,5-bis(tert-butoxycarbonylamino)benzoate CAS Name: 3,5-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid (1-hydroxy-2,5-dioxo-1-pyrrolidin-1-iumyl) ester IUPAC Name: (1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3,5-bis(tert-butoxycarbonylamino)benzoic acid (1-hydroxy-2,5-diketo-pyrrolidin-1-ium-1-yl) ester Formula: C21H28N3O9+ MolecularWeight: 466.46172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=CC(=C1)C(=O)O[N+]2(C(=O)CCC2=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=CC(=C1)C(=O)O[N+]2(C(=O)CCC2=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H27N3O9/c1-20(2,3)31-18(28)22-13-9-12(10-14(11-13)23-19(29)32-21(4,5)6)17(27)33-24(30)15(25)7-8-16(24)26/h9-11,30H,7-8H2,1-6H3,(H-,22,23,28,29)/p+1