sodium 1-[2-(4-chloranyl-3-fluoranyl-phenyl)-6-(2-oxidanylidenepyrrolidin-1-yl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate

Systemtic Name: sodium 1-[2-(4-chloranyl-3-fluoranyl-phenyl)-6-(2-oxidanylidenepyrrolidin-1-yl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate Openeye Name: sodium 1-[2-(4-chloro-3-fluoro-phenyl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]oxycyclopropanecarboxylate CAS Name: sodium 1-[[2-(4-chloro-3-fluorophenyl)-6-(2-oxo-1-pyrrolidinyl)-4-pyrimidinyl]oxy]-1-cyclopropanecarboxylate IUPAC Name: sodium 1-[2-(4-chloro-3-fluorophenyl)-6-(2-oxopyrrolidin-1-yl)pyrimidin-4-yl]oxycyclopropane-1-carboxylate Traditional Name: sodium 1-[2-(4-chloro-3-fluoro-phenyl)-6-(2-ketopyrrolidino)pyrimidin-4-yl]oxycyclopropanecarboxylate Formula: C18H14ClFN3NaO4 MolecularWeight: 413.762633

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=NC(=N2)C3=CC(=C(C=C3)Cl)F)OC4(CC4)C(=O)[O-].[Na+]

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=NC(=N2)C3=CC(=C(C=C3)Cl)F)OC4(CC4)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H15ClFN3O4.Na/c19-11-4-3-10(8-12(11)20)16-21-13(23-7-1-2-15(23)24)9-14(22-16)27-18(5-6-18)17(25)26;/h3-4,8-9H,1-2,5-7H2,(H,25,26);/q;+1/p-1