dimethyl (1R,2S,6S)-4,6-diacetyloxy-6-methyl-2-(2-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate

Systemtic Name: dimethyl (1R,2S,6S)-4,6-diacetyloxy-6-methyl-2-(2-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate Openeye Name: dimethyl (1R,2S,6S)-4,6-diacetoxy-6-methyl-2-(2-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate CAS Name: (1R,2S,6S)-4,6-diacetyloxy-6-methyl-2-(2-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2S,6S)-4,6-diacetyloxy-6-methyl-2-(2-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylate Traditional Name: (1R,2S,6S)-4,6-diacetoxy-6-methyl-2-(2-nitrophenyl)cyclohex-3-ene-1,3-dicarboxylic acid dimethyl ester Formula: C21H23NO10 MolecularWeight: 449.40802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(C(C(C1)(C)OC(=O)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)OC1=C([C@@H]([C@H]([C@@](C1)(C)OC(=O)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H23NO10/c1-11(23)31-15-10-21(3,32-12(2)24)18(20(26)30-5)16(17(15)19(25)29-4)13-8-6-7-9-14(13)22(27)28/h6-9,16,18H,10H2,1-5H3/t16-,18-,21-/m0/s1