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

Systemtic Name: [(2R,3R)-1-(2,4-dinitrophenoxy)-1-oxidanylidene-3-phenyl-3-(phenylmethoxycarbonylamino)propan-2-yl] benzoate Openeye Name: [(1R)-1-[(R)-benzyloxycarbonylamino(phenyl)methyl]-2-(2,4-dinitrophenoxy)-2-oxo-ethyl] benzoate CAS Name: benzoic acid [(2R,3R)-1-(2,4-dinitrophenoxy)-1-oxo-3-phenyl-3-(phenylmethoxycarbonylamino)propan-2-yl] ester IUPAC Name: [(2R,3R)-1-(2,4-dinitrophenoxy)-1-oxo-3-phenyl-3-(phenylmethoxycarbonylamino)propan-2-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(R)-benzyloxycarbonylamino(phenyl)methyl]-2-(2,4-dinitrophenoxy)-2-keto-ethyl] ester Formula: C30H23N3O10 MolecularWeight: 585.51772

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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=C(C=C(C=C3)[N+](=O)[O-])[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=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H23N3O10/c34-28(22-14-8-3-9-15-22)43-27(29(35)42-25-17-16-23(32(37)38)18-24(25)33(39)40)26(21-12-6-2-7-13-21)31-30(36)41-19-20-10-4-1-5-11-20/h1-18,26-27H,19H2,(H,31,36)/t26-,27-/m1/s1