sodium 1-(2-fluoranyl-4-oxidanyl-phenyl)-6-(1-methylindol-5-yl)-4-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: sodium 1-(2-fluoranyl-4-oxidanyl-phenyl)-6-(1-methylindol-5-yl)-4-oxidanylidene-pyridine-3-carboxylate Openeye Name: sodium 1-(2-fluoro-4-hydroxy-phenyl)-6-(1-methylindol-5-yl)-4-oxo-pyridine-3-carboxylate CAS Name: sodium 1-(2-fluoro-4-hydroxyphenyl)-6-(1-methyl-5-indolyl)-4-oxo-3-pyridinecarboxylate IUPAC Name: sodium 1-(2-fluoro-4-hydroxyphenyl)-6-(1-methylindol-5-yl)-4-oxopyridine-3-carboxylate Traditional Name: sodium 1-(2-fluoro-4-hydroxy-phenyl)-4-keto-6-(1-methylindol-5-yl)nicotinate Formula: C21H14FN2NaO4 MolecularWeight: 400.335033

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2)C3=CC(=O)C(=CN3C4=C(C=C(C=C4)O)F)C(=O)[O-].[Na+]

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2)C3=CC(=O)C(=CN3C4=C(C=C(C=C4)O)F)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H15FN2O4.Na/c1-23-7-6-13-8-12(2-4-17(13)23)19-10-20(26)15(21(27)28)11-24(19)18-5-3-14(25)9-16(18)22;/h2-11,25H,1H3,(H,27,28);/q;+1/p-1