methyl (3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-nitro-cyclohexene-1-carboxylate

Systemtic Name: methyl (3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-nitro-cyclohexene-1-carboxylate Openeye Name: methyl (3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-nitro-cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-nitro-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S,5R)-5-(hydroxymethyl)-3-methoxy-4-nitrocyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-3-methoxy-5-methylol-4-nitro-cyclohexene-1-carboxylic acid methyl ester Formula: C10H15NO6 MolecularWeight: 245.2292

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=C(CC(C1[N+](=O)[O-])CO)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C10H15NO6/c1-16-8-4-6(10(13)17-2)3-7(5-12)9(8)11(14)15/h4,7-9,12H,3,5H2,1-2H3/t7-,8+,9-/m0/s1