methyl 5-bromanyl-1-(2-methylpropyl)-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-bromanyl-1-(2-methylpropyl)-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-bromo-1-isobutyl-6-oxo-pyridine-3-carboxylate CAS Name: 5-bromo-1-(2-methylpropyl)-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-1-(2-methylpropyl)-6-oxopyridine-3-carboxylate Traditional Name: 5-bromo-1-isobutyl-6-keto-nicotinic acid methyl ester Formula: C11H14BrNO3 MolecularWeight: 288.13776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C=C(C1=O)Br)C(=O)OC

Isomeric SMILES

CC(C)CN1C=C(C=C(C1=O)Br)C(=O)OC

InChI

InChI=1S/C11H14BrNO3/c1-7(2)5-13-6-8(11(15)16-3)4-9(12)10(13)14/h4,6-7H,5H2,1-3H3