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

Systemtic Name: [1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)carbamoyl]propyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid 1-[(3-chloro-4-fluoro-phenyl)carbamoyl]propyl ester Formula: C16H14ClFN2O3 MolecularWeight: 336.745363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)C2=CC=NC=C2

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H14ClFN2O3/c1-2-14(23-16(22)10-5-7-19-8-6-10)15(21)20-11-3-4-13(18)12(17)9-11/h3-9,14H,2H2,1H3,(H,20,21)