methyl 5-bromanyl-1-(4-ethanoylphenyl)-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 5-bromanyl-1-(4-ethanoylphenyl)-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-(4-acetylphenyl)-5-bromo-6-oxo-pyridine-3-carboxylate CAS Name: 1-(4-acetylphenyl)-5-bromo-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-acetylphenyl)-5-bromo-6-oxopyridine-3-carboxylate Traditional Name: 1-(4-acetylphenyl)-5-bromo-6-keto-nicotinic acid methyl ester Formula: C15H12BrNO4 MolecularWeight: 350.16408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C=C(C=C(C2=O)Br)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C=C(C=C(C2=O)Br)C(=O)OC

InChI

InChI=1S/C15H12BrNO4/c1-9(18)10-3-5-12(6-4-10)17-8-11(15(20)21-2)7-13(16)14(17)19/h3-8H,1-2H3