[2-iodanyl-4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenyl] (E)-2-(2-nitrophenyl)but-2-enoate

Systemtic Name: [2-iodanyl-4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]phenyl] (E)-2-(2-nitrophenyl)but-2-enoate Openeye Name: [4-[(2S)-2-(benzyloxycarbonylamino)-3-tert-butoxy-3-oxo-propyl]-2-iodo-phenyl] (E)-2-(2-nitrophenyl)but-2-enoate CAS Name: (E)-2-(2-nitrophenyl)-2-butenoic acid [2-iodo-4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenyl] ester IUPAC Name: [2-iodo-4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenyl] (E)-2-(2-nitrophenyl)but-2-enoate Traditional Name: (E)-2-(2-nitrophenyl)but-2-enoic acid [4-[(2S)-2-(benzyloxycarbonylamino)-3-tert-butoxy-3-keto-propyl]-2-iodo-phenyl] ester Formula: C31H31IN2O8 MolecularWeight: 686.49091

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C1=CC=CC=C1[N+](=O)[O-])C(=O)OC2=C(C=C(C=C2)CC(C(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3)I

Isomeric SMILES

C/C=C(\C1=CC=CC=C1[N+](=O)[O-])/C(=O)OC2=C(C=C(C=C2)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3)I

InChI

InChI=1S/C31H31IN2O8/c1-5-22(23-13-9-10-14-26(23)34(38)39)28(35)41-27-16-15-21(17-24(27)32)18-25(29(36)42-31(2,3)4)33-30(37)40-19-20-11-7-6-8-12-20/h5-17,25H,18-19H2,1-4H3,(H,33,37)/b22-5+/t25-/m0/s1