[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H15FN4O3 MolecularWeight: 390.367203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N)F

Isomeric SMILES

C1=CC=C(C(=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N)F

InChI

InChI=1S/C21H15FN4O3/c22-17-8-1-2-9-18(17)26-20-16(7-4-10-24-20)21(28)29-13-19(27)25-15-6-3-5-14(11-15)12-23/h1-11H,13H2,(H,24,26)(H,25,27)