(5S,6S)-6-(4-bromanyl-2,5-dimethoxy-phenyl)-5-nitro-piperidin-2-one

Systemtic Name: (5S,6S)-6-(4-bromanyl-2,5-dimethoxy-phenyl)-5-nitro-piperidin-2-one Openeye Name: (5S,6S)-6-(4-bromo-2,5-dimethoxy-phenyl)-5-nitro-piperidin-2-one CAS Name: (5S,6S)-6-(4-bromo-2,5-dimethoxyphenyl)-5-nitro-2-piperidinone IUPAC Name: (5S,6S)-6-(4-bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one Traditional Name: (5S,6S)-6-(4-bromo-2,5-dimethoxy-phenyl)-5-nitro-2-piperidone Formula: C13H15BrN2O5 MolecularWeight: 359.1726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2C(CCC(=O)N2)[N+](=O)[O-])OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN2O5/c1-20-10-6-8(14)11(21-2)5-7(10)13-9(16(18)19)3-4-12(17)15-13/h5-6,9,13H,3-4H2,1-2H3,(H,15,17)/t9-,13-/m0/s1