[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-3-nitroprop-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-3-nitroprop-2-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E)-3-nitroprop-2-enoate CAS Name: (E)-3-nitro-2-propenoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-3-nitroprop-2-enoate Traditional Name: (E)-3-nitroacrylic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C19H25NO4 MolecularWeight: 331.4061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=C[N+](=O)[O-])C(C)(C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C=C/[N+](=O)[O-])C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C19H25NO4/c1-14-9-10-16(19(2,3)15-7-5-4-6-8-15)17(13-14)24-18(21)11-12-20(22)23/h4-8,11-12,14,16-17H,9-10,13H2,1-3H3/b12-11+/t14-,16-,17-/m1/s1