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

Systemtic Name: (2R,4S,5R)-5-(4-methoxyphenyl)-2-methyl-4-nitro-cyclohexan-1-one Openeye Name: (2R,4S,5R)-5-(4-methoxyphenyl)-2-methyl-4-nitro-cyclohexanone CAS Name: (2R,4S,5R)-5-(4-methoxyphenyl)-2-methyl-4-nitro-1-cyclohexanone IUPAC Name: (2R,4S,5R)-5-(4-methoxyphenyl)-2-methyl-4-nitrocyclohexan-1-one Traditional Name: (2R,4S,5R)-5-(4-methoxyphenyl)-2-methyl-4-nitro-cyclohexanone Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4/c1-9-7-13(15(17)18)12(8-14(9)16)10-3-5-11(19-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3/t9-,12-,13+/m1/s1