6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-bromanyl-pyridine-3-carboxylic acid

Systemtic Name: 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-bromanyl-pyridine-3-carboxylic acid Openeye Name: 6-[bis(tert-butoxycarbonyl)amino]-5-bromo-pyridine-3-carboxylic acid CAS Name: 6-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-bromo-3-pyridinecarboxylic acid IUPAC Name: 6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-bromopyridine-3-carboxylic acid Traditional Name: 6-[bis(tert-butoxycarbonyl)amino]-5-bromo-nicotinic acid Formula: C16H21BrN2O6 MolecularWeight: 417.25174

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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)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=C(C=C(C=N1)C(=O)O)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H21BrN2O6/c1-15(2,3)24-13(22)19(14(23)25-16(4,5)6)11-10(17)7-9(8-18-11)12(20)21/h7-8H,1-6H3,(H,20,21)