(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoate

Systemtic Name: (phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoate Openeye Name: benzyl 2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-nitrophenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propionic acid benzyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O6/c1-21(2,3)29-20(25)22-18(13-15-9-11-17(12-10-15)23(26)27)19(24)28-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,22,25)