dimethyl (2S,3R,4S,6R)-2-(2-bromophenyl)-3-nitro-6-oxidanyl-4-phenyl-cyclohexane-1,1-dicarboxylate

Systemtic Name: dimethyl (2S,3R,4S,6R)-2-(2-bromophenyl)-3-nitro-6-oxidanyl-4-phenyl-cyclohexane-1,1-dicarboxylate Openeye Name: dimethyl (2S,3R,4S,6R)-2-(2-bromophenyl)-6-hydroxy-3-nitro-4-phenyl-cyclohexane-1,1-dicarboxylate CAS Name: (2S,3R,4S,6R)-2-(2-bromophenyl)-6-hydroxy-3-nitro-4-phenylcyclohexane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,3R,4S,6R)-2-(2-bromophenyl)-6-hydroxy-3-nitro-4-phenylcyclohexane-1,1-dicarboxylate Traditional Name: (2S,3R,4S,6R)-2-(2-bromophenyl)-6-hydroxy-3-nitro-4-phenyl-cyclohexane-1,1-dicarboxylic acid dimethyl ester Formula: C22H22BrNO7 MolecularWeight: 492.31658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CC(C(C1C2=CC=CC=C2Br)[N+](=O)[O-])C3=CC=CC=C3)O)C(=O)OC

Isomeric SMILES

COC(=O)C1([C@@H](C[C@H]([C@H]([C@@H]1C2=CC=CC=C2Br)[N+](=O)[O-])C3=CC=CC=C3)O)C(=O)OC

InChI

InChI=1S/C22H22BrNO7/c1-30-20(26)22(21(27)31-2)17(25)12-15(13-8-4-3-5-9-13)19(24(28)29)18(22)14-10-6-7-11-16(14)23/h3-11,15,17-19,25H,12H2,1-2H3/t15-,17+,18-,19+/m0/s1