[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3-nitrobenzoate

Systemtic Name: [(2E)-2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3-nitrobenzoate Openeye Name: [(2E)-2-[(2-fluorophenyl)methylene]-3-oxo-benzofuran-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(2E)-2-(2-fluorobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C22H12FNO6 MolecularWeight: 405.332183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/2\C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])F

InChI

InChI=1S/C22H12FNO6/c23-18-7-2-1-4-13(18)11-20-21(25)17-9-8-16(12-19(17)30-20)29-22(26)14-5-3-6-15(10-14)24(27)28/h1-12H/b20-11+