[2-[(2,4-dichlorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-nitrobenzoate

Systemtic Name: [2-[(2,4-dichlorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-nitrobenzoate Openeye Name: [2-[(2,4-dichlorophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(2,4-dichlorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(2,4-dichlorobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C22H11Cl2NO6 MolecularWeight: 456.23184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=C(C=C(C=C4)Cl)Cl)O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=C(C=C(C=C4)Cl)Cl)O3)[N+](=O)[O-]

InChI

InChI=1S/C22H11Cl2NO6/c23-14-4-1-13(18(24)10-14)9-20-21(26)17-8-7-16(11-19(17)31-20)30-22(27)12-2-5-15(6-3-12)25(28)29/h1-11H