6-(3-bromanyl-4,5-dimethoxy-phenyl)-5-nitro-piperidin-2-one

Systemtic Name: 6-(3-bromanyl-4,5-dimethoxy-phenyl)-5-nitro-piperidin-2-one Openeye Name: 6-(3-bromo-4,5-dimethoxy-phenyl)-5-nitro-piperidin-2-one CAS Name: 6-(3-bromo-4,5-dimethoxyphenyl)-5-nitro-2-piperidinone IUPAC Name: 6-(3-bromo-4,5-dimethoxyphenyl)-5-nitropiperidin-2-one Traditional Name: 6-(3-bromo-4,5-dimethoxy-phenyl)-5-nitro-2-piperidone Formula: C13H15BrN2O5 MolecularWeight: 359.1726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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