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

Systemtic Name: ethyl 1-[[2,6-bis(fluoranyl)phenyl]methyl]-5-bromanyl-2,6-dimethyl-4-oxidanylidene-pyridine-3-carboxylate Openeye Name: ethyl 5-bromo-1-[(2,6-difluorophenyl)methyl]-2,6-dimethyl-4-oxo-pyridine-3-carboxylate CAS Name: 5-bromo-1-[(2,6-difluorophenyl)methyl]-2,6-dimethyl-4-oxo-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-1-[(2,6-difluorophenyl)methyl]-2,6-dimethyl-4-oxopyridine-3-carboxylate Traditional Name: 5-bromo-1-(2,6-difluorobenzyl)-4-keto-2,6-dimethyl-nicotinic acid ethyl ester Formula: C17H16BrF2NO3 MolecularWeight: 400.214646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1=O)Br)C)CC2=C(C=CC=C2F)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1=O)Br)C)CC2=C(C=CC=C2F)F)C

InChI

InChI=1S/C17H16BrF2NO3/c1-4-24-17(23)14-9(2)21(10(3)15(18)16(14)22)8-11-12(19)6-5-7-13(11)20/h5-7H,4,8H2,1-3H3