diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-nitro-1-phenyl-ethyl)propanedioate

Systemtic Name: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-nitro-1-phenyl-ethyl)propanedioate Openeye Name: diethyl 2-(tert-butoxycarbonylamino)-2-(2-nitro-1-phenyl-ethyl)propanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(2-nitro-1-phenylethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-nitro-1-phenylethyl)propanedioate Traditional Name: 2-(tert-butoxycarbonylamino)-2-(2-nitro-1-phenyl-ethyl)malonic acid diethyl ester Formula: C20H28N2O8 MolecularWeight: 424.44492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O8/c1-6-28-16(23)20(17(24)29-7-2,21-18(25)30-19(3,4)5)15(13-22(26)27)14-11-9-8-10-12-14/h8-12,15H,6-7,13H2,1-5H3,(H,21,25)