(2R,4R,5S)-2-methoxy-4-nitro-5-(2,3,4-trimethoxyphenyl)cyclohexan-1-one

Systemtic Name: (2R,4R,5S)-2-methoxy-4-nitro-5-(2,3,4-trimethoxyphenyl)cyclohexan-1-one Openeye Name: (2R,4R,5S)-2-methoxy-4-nitro-5-(2,3,4-trimethoxyphenyl)cyclohexanone CAS Name: (2R,4R,5S)-2-methoxy-4-nitro-5-(2,3,4-trimethoxyphenyl)-1-cyclohexanone IUPAC Name: (2R,4R,5S)-2-methoxy-4-nitro-5-(2,3,4-trimethoxyphenyl)cyclohexan-1-one Traditional Name: (2R,4R,5S)-2-methoxy-4-nitro-5-(2,3,4-trimethoxyphenyl)cyclohexanone Formula: C16H21NO7 MolecularWeight: 339.34044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CC(C(CC1=O)C2=C(C(=C(C=C2)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO7/c1-21-13-6-5-9(15(23-3)16(13)24-4)10-7-12(18)14(22-2)8-11(10)17(19)20/h5-6,10-11,14H,7-8H2,1-4H3/t10-,11+,14+/m0/s1