ethyl 4-[(4-ethynyl-2-fluoranyl-phenyl)amino]-1-methyl-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: ethyl 4-[(4-ethynyl-2-fluoranyl-phenyl)amino]-1-methyl-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: ethyl 4-(4-ethynyl-2-fluoro-anilino)-1-methyl-6-oxo-pyridine-3-carboxylate CAS Name: 4-(4-ethynyl-2-fluoroanilino)-1-methyl-6-oxo-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethynyl-2-fluoroanilino)-1-methyl-6-oxopyridine-3-carboxylate Traditional Name: 4-(4-ethynyl-2-fluoro-anilino)-6-keto-1-methyl-nicotinic acid ethyl ester Formula: C17H15FN2O3 MolecularWeight: 314.311003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=O)C=C1NC2=C(C=C(C=C2)C#C)F)C

Isomeric SMILES

CCOC(=O)C1=CN(C(=O)C=C1NC2=C(C=C(C=C2)C#C)F)C

InChI

InChI=1S/C17H15FN2O3/c1-4-11-6-7-14(13(18)8-11)19-15-9-16(21)20(3)10-12(15)17(22)23-5-2/h1,6-10,19H,5H2,2-3H3