(4-nitrophenyl) 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethanoyl)amino]ethanoate

Systemtic Name: (4-nitrophenyl) 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylethanoyl)amino]ethanoate Openeye Name: (4-nitrophenyl) 2-[tert-butoxycarbonyl-(2-phenylacetyl)amino]acetate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(1-oxo-2-phenylethyl)amino]acetic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetate Traditional Name: 2-[tert-butoxycarbonyl-(2-phenylacetyl)amino]acetic acid (4-nitrophenyl) ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O7/c1-21(2,3)30-20(26)22(18(24)13-15-7-5-4-6-8-15)14-19(25)29-17-11-9-16(10-12-17)23(27)28/h4-12H,13-14H2,1-3H3