diethyl 2-[2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-nitro-phenyl]ethyl]propanedioate

Systemtic Name: diethyl 2-[2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-nitro-phenyl]ethyl]propanedioate Openeye Name: diethyl 2-[2-[5-[(tert-butoxycarbonylamino)methyl]-2-nitro-phenyl]ethyl]propanedioate CAS Name: 2-[2-[5-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-nitrophenyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-nitrophenyl]ethyl]propanedioate Traditional Name: 2-[2-[5-[(tert-butoxycarbonylamino)methyl]-2-nitro-phenyl]ethyl]malonic acid diethyl ester Formula: C21H30N2O8 MolecularWeight: 438.4715

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=C(C=CC(=C1)CNC(=O)OC(C)(C)C)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC1=C(C=CC(=C1)CNC(=O)OC(C)(C)C)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C21H30N2O8/c1-6-29-18(24)16(19(25)30-7-2)10-9-15-12-14(8-11-17(15)23(27)28)13-22-20(26)31-21(3,4)5/h8,11-12,16H,6-7,9-10,13H2,1-5H3,(H,22,26)