(5R,6R)-6-(3,4-dimethoxyphenyl)-5-nitro-piperidin-2-one

Systemtic Name: (5R,6R)-6-(3,4-dimethoxyphenyl)-5-nitro-piperidin-2-one Openeye Name: (5R,6R)-6-(3,4-dimethoxyphenyl)-5-nitro-piperidin-2-one CAS Name: (5R,6R)-6-(3,4-dimethoxyphenyl)-5-nitro-2-piperidinone IUPAC Name: (5R,6R)-6-(3,4-dimethoxyphenyl)-5-nitropiperidin-2-one Traditional Name: (5R,6R)-6-(3,4-dimethoxyphenyl)-5-nitro-2-piperidone Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(CCC(=O)N2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2[C@@H](CCC(=O)N2)[N+](=O)[O-])OC

InChI

InChI=1S/C13H16N2O5/c1-19-10-5-3-8(7-11(10)20-2)13-9(15(17)18)4-6-12(16)14-13/h3,5,7,9,13H,4,6H2,1-2H3,(H,14,16)/t9-,13-/m1/s1