(2R,4S,5R)-2-methyl-4-nitro-5-phenyl-cyclohexan-1-one

Systemtic Name: (2R,4S,5R)-2-methyl-4-nitro-5-phenyl-cyclohexan-1-one Openeye Name: (2R,4S,5R)-2-methyl-4-nitro-5-phenyl-cyclohexanone CAS Name: (2R,4S,5R)-2-methyl-4-nitro-5-phenyl-1-cyclohexanone IUPAC Name: (2R,4S,5R)-2-methyl-4-nitro-5-phenylcyclohexan-1-one Traditional Name: (2R,4S,5R)-2-methyl-4-nitro-5-phenyl-cyclohexanone Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CC1=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H](CC1=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO3/c1-9-7-12(14(16)17)11(8-13(9)15)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11-,12+/m1/s1