ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)propanoate

Systemtic Name: ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)propanoate Openeye Name: ethyl (2S)-2-(tert-butoxycarbonylamino)-3-(3-nitrophenyl)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(3-nitrophenyl)propionic acid ethyl ester Formula: C16H22N2O6 MolecularWeight: 338.35568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H22N2O6/c1-5-23-14(19)13(17-15(20)24-16(2,3)4)10-11-7-6-8-12(9-11)18(21)22/h6-9,13H,5,10H2,1-4H3,(H,17,20)/t13-/m0/s1