methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)butanoate

Systemtic Name: methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)butanoate Openeye Name: methyl (3S)-3-(tert-butoxycarbonylamino)-4-(4-nitrophenyl)butanoate CAS Name: (3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(4-nitrophenyl)butanoic acid methyl ester IUPAC Name: methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)butanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-4-(4-nitrophenyl)butyric acid methyl ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-16(2,3)24-15(20)17-12(10-14(19)23-4)9-11-5-7-13(8-6-11)18(21)22/h5-8,12H,9-10H2,1-4H3,(H,17,20)/t12-/m0/s1