[(2R,3S)-1-(4-nitrophenoxy)-1-oxidanylidene-3-phenyl-3-(phenylmethoxycarbonylamino)propan-2-yl] benzoate

Systemtic Name: [(2R,3S)-1-(4-nitrophenoxy)-1-oxidanylidene-3-phenyl-3-(phenylmethoxycarbonylamino)propan-2-yl] benzoate Openeye Name: [(1R)-1-[(S)-benzyloxycarbonylamino(phenyl)methyl]-2-(4-nitrophenoxy)-2-oxo-ethyl] benzoate CAS Name: benzoic acid [(2R,3S)-1-(4-nitrophenoxy)-1-oxo-3-phenyl-3-(phenylmethoxycarbonylamino)propan-2-yl] ester IUPAC Name: [(2R,3S)-1-(4-nitrophenoxy)-1-oxo-3-phenyl-3-(phenylmethoxycarbonylamino)propan-2-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(S)-benzyloxycarbonylamino(phenyl)methyl]-2-keto-2-(4-nitrophenoxy)ethyl] ester Formula: C30H24N2O8 MolecularWeight: 540.52016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(C2=CC=CC=C2)C(C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](C2=CC=CC=C2)[C@H](C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H24N2O8/c33-28(23-14-8-3-9-15-23)40-27(29(34)39-25-18-16-24(17-19-25)32(36)37)26(22-12-6-2-7-13-22)31-30(35)38-20-21-10-4-1-5-11-21/h1-19,26-27H,20H2,(H,31,35)/t26-,27+/m0/s1