6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-5-nitro-piperidin-2-one

Systemtic Name: 6-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-5-nitro-piperidin-2-one Openeye Name: 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-nitro-piperidin-2-one CAS Name: 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-nitro-2-piperidinone IUPAC Name: 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-nitropiperidin-2-one Traditional Name: 6-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-nitro-2-piperidone Formula: C12H13BrN2O5 MolecularWeight: 345.14602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O5/c1-20-9-5-6(4-7(13)12(9)17)11-8(15(18)19)2-3-10(16)14-11/h4-5,8,11,17H,2-3H2,1H3,(H,14,16)