methyl (2S)-3-[methyl-(2-nitrophenyl)carbamoyl]oxy-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[methyl-(2-nitrophenyl)carbamoyl]oxy-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[methyl-(2-nitrophenyl)carbamoyl]oxy-propanoate CAS Name: (2S)-3-[(N-methyl-2-nitroanilino)-oxomethoxy]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[methyl-(2-nitrophenyl)carbamoyl]oxy-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[methyl-(2-nitrophenyl)carbamoyl]oxy-propionic acid methyl ester Formula: C20H21N3O8 MolecularWeight: 431.39604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O8/c1-22(16-10-6-7-11-17(16)23(27)28)20(26)31-13-15(18(24)29-2)21-19(25)30-12-14-8-4-3-5-9-14/h3-11,15H,12-13H2,1-2H3,(H,21,25)/t15-/m0/s1