O1-methyl O4-(2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-2,3-bis(bromanyl)but-2-enedioate

Systemtic Name: O1-methyl O4-(2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-2,3-bis(bromanyl)but-2-enedioate Openeye Name: O1-methyl O4-[2-oxo-2-(1-piperidyl)ethyl] (E)-2,3-dibromobut-2-enedioate CAS Name: (E)-2,3-dibromo-2-butenedioic acid O1-methyl ester O4-[2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: 1-O-methyl 4-O-(2-oxo-2-piperidin-1-ylethyl) (E)-2,3-dibromobut-2-enedioate Traditional Name: (E)-2,3-dibromobut-2-enedioic acid O1-(2-keto-2-piperidino-ethyl) ester O4-methyl ester Formula: C12H15Br2NO5 MolecularWeight: 413.0592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C(=O)OCC(=O)N1CCCCC1)Br)Br

Isomeric SMILES

COC(=O)/C(=C(/C(=O)OCC(=O)N1CCCCC1)\Br)/Br

InChI

InChI=1S/C12H15Br2NO5/c1-19-11(17)9(13)10(14)12(18)20-7-8(16)15-5-3-2-4-6-15/h2-7H2,1H3/b10-9+