methyl (2S)-3-(4,5-dimethoxy-2-nitro-phenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-(4,5-dimethoxy-2-nitro-phenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-(4,5-dimethoxy-2-nitro-phenyl)propanoate CAS Name: (2S)-3-(4,5-dimethoxy-2-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4,5-dimethoxy-2-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4,5-dimethoxy-2-nitro-phenyl)propionic acid methyl ester Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N2O8/c1-27-17-10-14(16(22(25)26)11-18(17)28-2)9-15(19(23)29-3)21-20(24)30-12-13-7-5-4-6-8-13/h4-8,10-11,15H,9,12H2,1-3H3,(H,21,24)/t15-/m0/s1