(3S,4S,5S)-3-methoxy-5-(3-methoxyphenyl)-4-nitro-cyclohexan-1-one

Systemtic Name: (3S,4S,5S)-3-methoxy-5-(3-methoxyphenyl)-4-nitro-cyclohexan-1-one Openeye Name: (3S,4S,5S)-3-methoxy-5-(3-methoxyphenyl)-4-nitro-cyclohexanone CAS Name: (3S,4S,5S)-3-methoxy-5-(3-methoxyphenyl)-4-nitro-1-cyclohexanone IUPAC Name: (3S,4S,5S)-3-methoxy-5-(3-methoxyphenyl)-4-nitrocyclohexan-1-one Traditional Name: (3S,4S,5S)-3-methoxy-5-(3-methoxyphenyl)-4-nitro-cyclohexanone Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(=O)CC(C1[N+](=O)[O-])C2=CC(=CC=C2)OC

Isomeric SMILES

CO[C@H]1CC(=O)C[C@H]([C@@H]1[N+](=O)[O-])C2=CC(=CC=C2)OC

InChI

InChI=1S/C14H17NO5/c1-19-11-5-3-4-9(6-11)12-7-10(16)8-13(20-2)14(12)15(17)18/h3-6,12-14H,7-8H2,1-2H3/t12-,13-,14-/m0/s1