[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-nitro-pyridin-3-yl]carbonylcarbamic acid

Systemtic Name: [6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-nitro-pyridin-3-yl]carbonylcarbamic acid Openeye Name: [6-[bis(tert-butoxycarbonyl)amino]-5-nitro-pyridine-3-carbonyl]carbamic acid CAS Name: [[6-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-nitro-3-pyridinyl]-oxomethyl]carbamic acid IUPAC Name: [6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-nitropyridine-3-carbonyl]carbamic acid Traditional Name: [6-[bis(tert-butoxycarbonyl)amino]-5-nitro-nicotinoyl]carbamic acid Formula: C17H22N4O9 MolecularWeight: 426.37798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O9/c1-16(2,3)29-14(25)20(15(26)30-17(4,5)6)11-10(21(27)28)7-9(8-18-11)12(22)19-13(23)24/h7-8H,1-6H3,(H,19,22)(H,23,24)