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

Systemtic Name: (2R,4S,5R)-5-(4-fluorophenyl)-2-methyl-4-nitro-cyclohexan-1-one Openeye Name: (2R,4S,5R)-5-(4-fluorophenyl)-2-methyl-4-nitro-cyclohexanone CAS Name: (2R,4S,5R)-5-(4-fluorophenyl)-2-methyl-4-nitro-1-cyclohexanone IUPAC Name: (2R,4S,5R)-5-(4-fluorophenyl)-2-methyl-4-nitrocyclohexan-1-one Traditional Name: (2R,4S,5R)-5-(4-fluorophenyl)-2-methyl-4-nitro-cyclohexanone Formula: C13H14FNO3 MolecularWeight: 251.253563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14FNO3/c1-8-6-12(15(17)18)11(7-13(8)16)9-2-4-10(14)5-3-9/h2-5,8,11-12H,6-7H2,1H3/t8-,11-,12+/m1/s1