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

Systemtic Name: [1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C15H12ClFN2O3 MolecularWeight: 322.718783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClFN2O3/c1-9(22-15(21)10-4-6-18-7-5-10)14(20)19-11-2-3-13(17)12(16)8-11/h2-9H,1H3,(H,19,20)