(4-fluorophenyl) (4E)-3-methyl-4-(pyridin-3-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (4-fluorophenyl) (4E)-3-methyl-4-(pyridin-3-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (4-fluorophenyl) (4E)-3-methyl-4-(pyridine-3-carbonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[[oxo(3-pyridinyl)methyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-fluorophenyl) ester IUPAC Name: (4-fluorophenyl) (4E)-3-methyl-4-(pyridine-3-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(nicotinoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid (4-fluorophenyl) ester Formula: C22H18FN3O4 MolecularWeight: 407.394423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CN=CC=C3)CCC2)C(=O)OC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CN=CC=C3)/CCC2)C(=O)OC4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3O4/c1-13-19-17(25-26-21(27)14-4-3-11-24-12-14)5-2-6-18(19)30-20(13)22(28)29-16-9-7-15(23)8-10-16/h3-4,7-12H,2,5-6H2,1H3,(H,26,27)/b25-17+