[2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-nitrobenzoate

Systemtic Name: [2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-nitrobenzoate Openeye Name: [2-[(2-chloro-6-fluoro-phenyl)methylene]-3-oxo-benzofuran-6-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(2-chloro-6-fluoro-benzylidene)-3-keto-coumaran-6-yl] ester Formula: C22H11ClFNO6 MolecularWeight: 439.777243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H11ClFNO6/c23-17-2-1-3-18(24)16(17)11-20-21(26)15-9-8-14(10-19(15)31-20)30-22(27)12-4-6-13(7-5-12)25(28)29/h1-11H