tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonyl-phenethyl-amino]methyl]-4-nitro-benzoate

Systemtic Name: tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonyl-phenethyl-amino]methyl]-4-nitro-benzoate Openeye Name: tert-butyl 3-[[tert-butoxycarbonyl(phenethyl)amino]methyl]-4-nitro-benzoate CAS Name: 3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenethylamino]methyl]-4-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonyl-phenethylamino]methyl]-4-nitrobenzoate Traditional Name: 3-[[tert-butoxycarbonyl(phenethyl)amino]methyl]-4-nitro-benzoic acid tert-butyl ester Formula: C25H32N2O6 MolecularWeight: 456.53138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CN(CCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CN(CCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H32N2O6/c1-24(2,3)32-22(28)19-12-13-21(27(30)31)20(16-19)17-26(23(29)33-25(4,5)6)15-14-18-10-8-7-9-11-18/h7-13,16H,14-15,17H2,1-6H3