ethyl 3-[(1S,2R,3R)-3-methoxy-2-methyl-2-nitro-5-oxidanylidene-cyclohexyl]propanoate

Systemtic Name: ethyl 3-[(1S,2R,3R)-3-methoxy-2-methyl-2-nitro-5-oxidanylidene-cyclohexyl]propanoate Openeye Name: ethyl 3-[(1S,2R,3R)-3-methoxy-2-methyl-2-nitro-5-oxo-cyclohexyl]propanoate CAS Name: 3-[(1S,2R,3R)-3-methoxy-2-methyl-2-nitro-5-oxocyclohexyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(1S,2R,3R)-3-methoxy-2-methyl-2-nitro-5-oxocyclohexyl]propanoate Traditional Name: 3-[(1S,2R,3R)-5-keto-3-methoxy-2-methyl-2-nitro-cyclohexyl]propionic acid ethyl ester Formula: C13H21NO6 MolecularWeight: 287.30894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1CC(=O)CC(C1(C)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO6/c1-4-20-12(16)6-5-9-7-10(15)8-11(19-3)13(9,2)14(17)18/h9,11H,4-8H2,1-3H3/t9-,11+,13+/m0/s1