methyl (1R,2S,3S)-3-methoxy-2-nitro-5-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2S,3S)-3-methoxy-2-nitro-5-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2S,3S)-3-methoxy-2-nitro-5-oxo-cyclohexanecarboxylate CAS Name: (1R,2S,3S)-3-methoxy-2-nitro-5-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S,3S)-3-methoxy-2-nitro-5-oxocyclohexane-1-carboxylate Traditional Name: (1R,2S,3S)-5-keto-3-methoxy-2-nitro-cyclohexanecarboxylic acid methyl ester Formula: C9H13NO6 MolecularWeight: 231.20262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CC(=O)CC(C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO6/c1-15-7-4-5(11)3-6(9(12)16-2)8(7)10(13)14/h6-8H,3-4H2,1-2H3/t6-,7+,8+/m1/s1