(phenylmethyl) (1S,2R,6R)-6-(2-nitrophenyl)-2-oxidanyl-4-oxidanylidene-2-phenyl-cyclohexane-1-carboxylate

Systemtic Name: (phenylmethyl) (1S,2R,6R)-6-(2-nitrophenyl)-2-oxidanyl-4-oxidanylidene-2-phenyl-cyclohexane-1-carboxylate Openeye Name: benzyl (1S,2R,6R)-2-hydroxy-6-(2-nitrophenyl)-4-oxo-2-phenyl-cyclohexanecarboxylate CAS Name: (1S,2R,6R)-2-hydroxy-6-(2-nitrophenyl)-4-oxo-2-phenyl-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,2R,6R)-2-hydroxy-6-(2-nitrophenyl)-4-oxo-2-phenylcyclohexane-1-carboxylate Traditional Name: (1S,2R,6R)-2-hydroxy-4-keto-6-(2-nitrophenyl)-2-phenyl-cyclohexanecarboxylic acid benzyl ester Formula: C26H23NO6 MolecularWeight: 445.46392

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1[C@H]([C@@H]([C@](CC1=O)(C2=CC=CC=C2)O)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H23NO6/c28-20-15-22(21-13-7-8-14-23(21)27(31)32)24(25(29)33-17-18-9-3-1-4-10-18)26(30,16-20)19-11-5-2-6-12-19/h1-14,22,24,30H,15-17H2/t22-,24+,26-/m0/s1