methyl 5-bromanyl-1-cyclohexyl-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-bromanyl-1-cyclohexyl-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-bromo-1-cyclohexyl-6-oxo-pyridine-3-carboxylate CAS Name: 5-bromo-1-cyclohexyl-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-1-cyclohexyl-6-oxopyridine-3-carboxylate Traditional Name: 5-bromo-1-cyclohexyl-6-keto-nicotinic acid methyl ester Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)Br)C2CCCCC2

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)Br)C2CCCCC2

InChI

InChI=1S/C13H16BrNO3/c1-18-13(17)9-7-11(14)12(16)15(8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3