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

Systemtic Name: (2R,4S,5R)-2-methyl-5-(4-methylphenyl)-4-nitro-cyclohexan-1-one Openeye Name: (2R,4S,5R)-2-methyl-4-nitro-5-(p-tolyl)cyclohexanone CAS Name: (2R,4S,5R)-2-methyl-5-(4-methylphenyl)-4-nitro-1-cyclohexanone IUPAC Name: (2R,4S,5R)-2-methyl-5-(4-methylphenyl)-4-nitrocyclohexan-1-one Traditional Name: (2R,4S,5R)-2-methyl-4-nitro-5-(p-tolyl)cyclohexanone Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-9-3-5-11(6-4-9)12-8-14(16)10(2)7-13(12)15(17)18/h3-6,10,12-13H,7-8H2,1-2H3/t10-,12-,13+/m1/s1