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

Systemtic Name: [(2Z)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3-nitrobenzoate Openeye Name: [(2Z)-2-[(2-chloro-6-fluoro-phenyl)methylene]-3-oxo-benzofuran-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(2Z)-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(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=C(C=CC=C4Cl)F)O3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=C(C=CC=C4Cl)F)/O3

InChI

InChI=1S/C22H11ClFNO6/c23-17-5-2-6-18(24)16(17)11-20-21(26)15-8-7-14(10-19(15)31-20)30-22(27)12-3-1-4-13(9-12)25(28)29/h1-11H/b20-11-