[(2R,3R)-2-methyl-1-[(4R,5S)-4-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-3-yl]-1-oxidanylidene-octan-3-yl] 4-nitrobenzoate

Systemtic Name: [(2R,3R)-2-methyl-1-[(4R,5S)-4-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-3-yl]-1-oxidanylidene-octan-3-yl] 4-nitrobenzoate Openeye Name: [(1R)-1-[(1R)-1-methyl-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-oxazolidin-3-yl]-2-oxo-ethyl]hexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,3R)-2-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-3-oxazolidinyl]-1-oxooctan-3-yl] ester IUPAC Name: [(2R,3R)-2-methyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxooctan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-1-[(1R)-2-keto-2-[(4R,5S)-2-keto-4-methyl-5-phenyl-oxazolidin-3-yl]-1-methyl-ethyl]hexyl] ester Formula: C26H30N2O7 MolecularWeight: 482.5256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)C(=O)N1C(C(OC1=O)C2=CC=CC=C2)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC[C@H]([C@@H](C)C(=O)N1[C@@H]([C@@H](OC1=O)C2=CC=CC=C2)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H30N2O7/c1-4-5-7-12-22(34-25(30)20-13-15-21(16-14-20)28(32)33)17(2)24(29)27-18(3)23(35-26(27)31)19-10-8-6-9-11-19/h6,8-11,13-18,22-23H,4-5,7,12H2,1-3H3/t17-,18-,22-,23-/m1/s1