diethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1-nitro-butan-2-yl]propanedioate

Systemtic Name: diethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1-nitro-butan-2-yl]propanedioate Openeye Name: diethyl 2-[3-(4-tert-butoxycarbonylphenyl)-1-(nitromethyl)propyl]propanedioate CAS Name: 2-[4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]-1-nitrobutan-2-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1-nitrobutan-2-yl]propanedioate Traditional Name: 2-[3-(4-tert-butoxycarbonylphenyl)-1-(nitromethyl)propyl]malonic acid diethyl ester Formula: C22H31NO8 MolecularWeight: 437.48344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO8/c1-6-29-20(25)18(21(26)30-7-2)17(14-23(27)28)13-10-15-8-11-16(12-9-15)19(24)31-22(3,4)5/h8-9,11-12,17-18H,6-7,10,13-14H2,1-5H3