[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate Openeye Name: 1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-bromo-2-fluoroanilino)-1-oxobutan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid 1-[(4-bromo-2-fluoro-phenyl)carbamoyl]propyl ester Formula: C16H14BrFN2O3 MolecularWeight: 381.196363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CN=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H14BrFN2O3/c1-2-14(23-16(22)10-4-3-7-19-9-10)15(21)20-13-6-5-11(17)8-12(13)18/h3-9,14H,2H2,1H3,(H,20,21)