ethyl (2S,3S)-3-(4-chlorophenyl)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitro-propanoate

Systemtic Name: ethyl (2S,3S)-3-(4-chlorophenyl)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitro-propanoate Openeye Name: ethyl (2S,3S)-3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)-2-methyl-2-nitro-propanoate CAS Name: (2S,3S)-3-(4-chlorophenyl)-2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-nitropropanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-(4-chlorophenyl)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-nitropropanoate Traditional Name: (2S,3S)-3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)-2-methyl-2-nitro-propionic acid ethyl ester Formula: C17H23ClN2O6 MolecularWeight: 386.82732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O6/c1-6-25-14(21)17(5,20(23)24)13(11-7-9-12(18)10-8-11)19-15(22)26-16(2,3)4/h7-10,13H,6H2,1-5H3,(H,19,22)/t13-,17-/m0/s1