methyl 1-[2-[4,5-bis(bromanyl)-6-oxidanylidene-pyridazin-1-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[4,5-bis(bromanyl)-6-oxidanylidene-pyridazin-1-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4,5-dibromo-6-oxo-pyridazin-1-yl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(4,5-dibromo-6-oxo-1-pyridazinyl)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4,5-dibromo-6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4,5-dibromo-6-keto-pyridazin-1-yl)acetyl]isonipecotic acid methyl ester Formula: C13H15Br2N3O4 MolecularWeight: 437.0839

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CN2C(=O)C(=C(C=N2)Br)Br

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CN2C(=O)C(=C(C=N2)Br)Br

InChI

InChI=1S/C13H15Br2N3O4/c1-22-13(21)8-2-4-17(5-3-8)10(19)7-18-12(20)11(15)9(14)6-16-18/h6,8H,2-5,7H2,1H3