O3-[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester O1-methyl ester IUPAC Name: 3-O-[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester O1-methyl ester Formula: C17H21N3O8 MolecularWeight: 395.36394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O8/c1-9(13(21)18-16(24)19-17(2,3)4)28-15(23)11-6-10(14(22)27-5)7-12(8-11)20(25)26/h6-9H,1-5H3,(H2,18,19,21,24)