methyl (2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitro-3-phenyl-propanoate

Systemtic Name: methyl (2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitro-3-phenyl-propanoate Openeye Name: methyl (2R,3S)-3-(tert-butoxycarbonylamino)-2-methyl-2-nitro-3-phenyl-propanoate CAS Name: (2R,3S)-2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-nitro-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitro-3-phenylpropanoate Traditional Name: (2R,3S)-3-(tert-butoxycarbonylamino)-2-methyl-2-nitro-3-phenyl-propionic acid methyl ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-15(2,3)24-14(20)17-12(11-9-7-6-8-10-11)16(4,18(21)22)13(19)23-5/h6-10,12H,1-5H3,(H,17,20)/t12-,16+/m0/s1