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

Systemtic Name: methyl 5-bromanyl-6-oxidanylidene-1-phenethyl-pyridine-3-carboxylate Openeye Name: methyl 5-bromo-6-oxo-1-phenethyl-pyridine-3-carboxylate CAS Name: 5-bromo-6-oxo-1-phenethyl-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-6-oxo-1-phenethylpyridine-3-carboxylate Traditional Name: 5-bromo-6-keto-1-phenethyl-nicotinic acid methyl ester Formula: C15H14BrNO3 MolecularWeight: 336.18056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)Br)CCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)Br)CCC2=CC=CC=C2

InChI

InChI=1S/C15H14BrNO3/c1-20-15(19)12-9-13(16)14(18)17(10-12)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3