[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 2-[(2-fluorophenyl)amino]pyridine-3-carboxylate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate CAS Name: 2-(2-fluoroanilino)-3-pyridinecarboxylic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate Traditional Name: 2-(2-fluoroanilino)nicotinic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C20H17FN4O4 MolecularWeight: 396.371783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)COC(=O)C2=C(N=CC=C2)NC3=CC=CC=C3F

InChI

InChI=1S/C20H17FN4O4/c1-25-11-5-9-16(25)19(27)24-17(26)12-29-20(28)13-6-4-10-22-18(13)23-15-8-3-2-7-14(15)21/h2-11H,12H2,1H3,(H,22,23)(H,24,26,27)