(1S,6R)-3,4-dimethyl-6-(4-nitrophenyl)-1-(trifluoromethylsulfonyl)cyclohex-3-ene-1-carbonitrile

Systemtic Name: (1S,6R)-3,4-dimethyl-6-(4-nitrophenyl)-1-(trifluoromethylsulfonyl)cyclohex-3-ene-1-carbonitrile Openeye Name: (1S,6R)-3,4-dimethyl-6-(4-nitrophenyl)-1-(trifluoromethylsulfonyl)cyclohex-3-ene-1-carbonitrile CAS Name: (1S,6R)-3,4-dimethyl-6-(4-nitrophenyl)-1-(trifluoromethylsulfonyl)-1-cyclohex-3-enecarbonitrile IUPAC Name: (1S,6R)-3,4-dimethyl-6-(4-nitrophenyl)-1-(trifluoromethylsulfonyl)cyclohex-3-ene-1-carbonitrile Traditional Name: (1S,6R)-3,4-dimethyl-6-(4-nitrophenyl)-1-triflyl-cyclohex-3-ene-1-carbonitrile Formula: C16H15F3N2O4S MolecularWeight: 388.36151

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F3N2O4S/c1-10-7-14(12-3-5-13(6-4-12)21(22)23)15(9-20,8-11(10)2)26(24,25)16(17,18)19/h3-6,14H,7-8H2,1-2H3/t14-,15-/m1/s1