[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl] 4-nitrobenzoate

Systemtic Name: [(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl] 4-nitrobenzoate Openeye Name: [(2S)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl] ester IUPAC Name: [(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl] ester Formula: C19H18N2O8 MolecularWeight: 402.35482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O8/c1-27-18(23)16(20-19(24)29-11-13-5-3-2-4-6-13)12-28-17(22)14-7-9-15(10-8-14)21(25)26/h2-10,16H,11-12H2,1H3,(H,20,24)/t16-/m0/s1