(5R,6R)-6-(5-bromanyl-2-methoxy-phenyl)-5-nitro-piperidin-2-one

Systemtic Name: (5R,6R)-6-(5-bromanyl-2-methoxy-phenyl)-5-nitro-piperidin-2-one Openeye Name: (5R,6R)-6-(5-bromo-2-methoxy-phenyl)-5-nitro-piperidin-2-one CAS Name: (5R,6R)-6-(5-bromo-2-methoxyphenyl)-5-nitro-2-piperidinone IUPAC Name: (5R,6R)-6-(5-bromo-2-methoxyphenyl)-5-nitropiperidin-2-one Traditional Name: (5R,6R)-6-(5-bromo-2-methoxy-phenyl)-5-nitro-2-piperidone Formula: C12H13BrN2O4 MolecularWeight: 329.14662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O4/c1-19-10-4-2-7(13)6-8(10)12-9(15(17)18)3-5-11(16)14-12/h2,4,6,9,12H,3,5H2,1H3,(H,14,16)/t9-,12-/m1/s1