methyl (1S,2R,3R,6R)-1-cyano-3-methanoyl-2-(4-nitrophenyl)-6-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R,3R,6R)-1-cyano-3-methanoyl-2-(4-nitrophenyl)-6-oxidanyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R,3R,6R)-1-cyano-3-formyl-6-hydroxy-2-(4-nitrophenyl)cyclohexanecarboxylate CAS Name: (1S,2R,3R,6R)-1-cyano-3-formyl-6-hydroxy-2-(4-nitrophenyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,3R,6R)-1-cyano-3-formyl-6-hydroxy-2-(4-nitrophenyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R,3R,6R)-1-cyano-3-formyl-6-hydroxy-2-(4-nitrophenyl)cyclohexanecarboxylic acid methyl ester Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CCC(C1C2=CC=C(C=C2)[N+](=O)[O-])C=O)O)C#N

Isomeric SMILES

COC(=O)[C@]1([C@@H](CC[C@H]([C@@H]1C2=CC=C(C=C2)[N+](=O)[O-])C=O)O)C#N

InChI

InChI=1S/C16H16N2O6/c1-24-15(21)16(9-17)13(20)7-4-11(8-19)14(16)10-2-5-12(6-3-10)18(22)23/h2-3,5-6,8,11,13-14,20H,4,7H2,1H3/t11-,13+,14-,16-/m0/s1