methyl 5-bromanyl-1-[(2S)-1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-bromanyl-1-[(2S)-1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-bromo-1-[(1S)-1-methoxycarbonyl-2-methyl-propyl]-6-oxo-pyridine-3-carboxylate CAS Name: 5-bromo-1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-1-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]-6-oxopyridine-3-carboxylate Traditional Name: 5-bromo-1-[(1S)-1-carbomethoxy-2-methyl-propyl]-6-keto-nicotinic acid methyl ester Formula: C13H16BrNO5 MolecularWeight: 346.17384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N1C=C(C=C(C1=O)Br)C(=O)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N1C=C(C=C(C1=O)Br)C(=O)OC

InChI

InChI=1S/C13H16BrNO5/c1-7(2)10(13(18)20-4)15-6-8(12(17)19-3)5-9(14)11(15)16/h5-7,10H,1-4H3/t10-/m0/s1