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

Systemtic Name: sodium 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-cyano-pyridine-3-carboxylate Openeye Name: sodium 6-[bis(tert-butoxycarbonyl)amino]-5-cyano-pyridine-3-carboxylate CAS Name: sodium 6-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-cyano-3-pyridinecarboxylate IUPAC Name: sodium 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-cyanopyridine-3-carboxylate Traditional Name: sodium 6-[bis(tert-butoxycarbonyl)amino]-5-cyano-nicotinate Formula: C17H20N3NaO6 MolecularWeight: 385.34697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=NC=C(C=C1C#N)C(=O)[O-])C(=O)OC(C)(C)C.[Na+]

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=NC=C(C=C1C#N)C(=O)[O-])C(=O)OC(C)(C)C.[Na+]

InChI

InChI=1S/C17H21N3O6.Na/c1-16(2,3)25-14(23)20(15(24)26-17(4,5)6)12-10(8-18)7-11(9-19-12)13(21)22;/h7,9H,1-6H3,(H,21,22);/q;+1/p-1