N-[[5-fluoranyl-7-(4-fluoranyl-3-methyl-phenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[[5-fluoranyl-7-(4-fluoranyl-3-methyl-phenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[[5-fluoro-7-(4-fluoro-3-methyl-phenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[[5-fluoro-7-(4-fluoro-3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[[5-fluoro-7-(4-fluoro-3-methyl-phenyl)coumaran-2-yl]methyl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C22H18F2N2O3 MolecularWeight: 396.386726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=CC3=C2OC(C3)CNC(=O)C4=CC=[N+](C=C4)[O-])F)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=CC3=C2OC(C3)CNC(=O)C4=CC=[N+](C=C4)[O-])F)F

InChI

InChI=1S/C22H18F2N2O3/c1-13-8-15(2-3-20(13)24)19-11-17(23)9-16-10-18(29-21(16)19)12-25-22(27)14-4-6-26(28)7-5-14/h2-9,11,18H,10,12H2,1H3,(H,25,27)