methyl 5-bromanyl-1-[2-(1H-imidazol-5-yl)ethyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-bromanyl-1-[2-(1H-imidazol-5-yl)ethyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-bromo-1-[2-(1H-imidazol-5-yl)ethyl]-6-oxo-pyridine-3-carboxylate CAS Name: 5-bromo-1-[2-(1H-imidazol-5-yl)ethyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-1-[2-(1H-imidazol-5-yl)ethyl]-6-oxopyridine-3-carboxylate Traditional Name: 5-bromo-1-[2-(1H-imidazol-5-yl)ethyl]-6-keto-nicotinic acid methyl ester Formula: C12H12BrN3O3 MolecularWeight: 326.14598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)Br)CCC2=CN=CN2

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)Br)CCC2=CN=CN2

InChI

InChI=1S/C12H12BrN3O3/c1-19-12(18)8-4-10(13)11(17)16(6-8)3-2-9-5-14-7-15-9/h4-7H,2-3H2,1H3,(H,14,15)