sodium 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-nitro-pyridine-3-carboxylate

Systemtic Name: sodium 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-nitro-pyridine-3-carboxylate Openeye Name: sodium 6-[bis(tert-butoxycarbonyl)amino]-5-nitro-pyridine-3-carboxylate CAS Name: sodium 6-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-nitro-3-pyridinecarboxylate IUPAC Name: sodium 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-nitropyridine-3-carboxylate Traditional Name: sodium 6-[bis(tert-butoxycarbonyl)amino]-5-nitro-nicotinate Formula: C16H20N3NaO8 MolecularWeight: 405.33507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=C(C=C(C=N1)C(=O)[O-])[N+](=O)[O-])C(=O)OC(C)(C)C.[Na+]

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=C(C=C(C=N1)C(=O)[O-])[N+](=O)[O-])C(=O)OC(C)(C)C.[Na+]

InChI

InChI=1S/C16H21N3O8.Na/c1-15(2,3)26-13(22)18(14(23)27-16(4,5)6)11-10(19(24)25)7-9(8-17-11)12(20)21;/h7-8H,1-6H3,(H,20,21);/q;+1/p-1