methyl 1-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-5-bromanyl-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-5-bromanyl-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-bromo-1-[2-(3,4-dihydroxyphenyl)ethyl]-6-oxo-pyridine-3-carboxylate CAS Name: 5-bromo-1-[2-(3,4-dihydroxyphenyl)ethyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-1-[2-(3,4-dihydroxyphenyl)ethyl]-6-oxopyridine-3-carboxylate Traditional Name: 5-bromo-1-[2-(3,4-dihydroxyphenyl)ethyl]-6-keto-nicotinic acid methyl ester Formula: C15H14BrNO5 MolecularWeight: 368.17936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrNO5/c1-22-15(21)10-7-11(16)14(20)17(8-10)5-4-9-2-3-12(18)13(19)6-9/h2-3,6-8,18-19H,4-5H2,1H3