[(2Z)-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-fluoranylbenzoate

Systemtic Name: [(2Z)-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-fluoranylbenzoate Openeye Name: [(2Z)-3-oxo-2-(4-pyridylmethylene)benzofuran-6-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [(2Z)-3-keto-2-(4-pyridylmethylene)coumaran-6-yl] ester Formula: C21H12FNO4 MolecularWeight: 361.322683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=NC=C4)O3)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=NC=C4)/O3)F

InChI

InChI=1S/C21H12FNO4/c22-15-3-1-14(2-4-15)21(25)26-16-5-6-17-18(12-16)27-19(20(17)24)11-13-7-9-23-10-8-13/h1-12H/b19-11-