(2R,3S,4R)-2-(4-fluorophenyl)-4-methyl-3-nitro-4-oxidanyl-cyclohexane-1,1-dicarbonitrile

Systemtic Name: (2R,3S,4R)-2-(4-fluorophenyl)-4-methyl-3-nitro-4-oxidanyl-cyclohexane-1,1-dicarbonitrile Openeye Name: (2R,3S,4R)-2-(4-fluorophenyl)-4-hydroxy-4-methyl-3-nitro-cyclohexane-1,1-dicarbonitrile CAS Name: (2R,3S,4R)-2-(4-fluorophenyl)-4-hydroxy-4-methyl-3-nitrocyclohexane-1,1-dicarbonitrile IUPAC Name: (2R,3S,4R)-2-(4-fluorophenyl)-4-hydroxy-4-methyl-3-nitrocyclohexane-1,1-dicarbonitrile Traditional Name: (2R,3S,4R)-2-(4-fluorophenyl)-4-hydroxy-4-methyl-3-nitro-cyclohexane-1,1-dicarbonitrile Formula: C15H14FN3O3 MolecularWeight: 303.288363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C(C1[N+](=O)[O-])C2=CC=C(C=C2)F)(C#N)C#N)O

Isomeric SMILES

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

InChI

InChI=1S/C15H14FN3O3/c1-14(20)6-7-15(8-17,9-18)12(13(14)19(21)22)10-2-4-11(16)5-3-10/h2-5,12-13,20H,6-7H2,1H3/t12-,13-,14+/m0/s1