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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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