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

Systemtic Name: [2-[(3,4-dichlorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3-nitrobenzoate Openeye Name: [2-[(3,4-dichlorophenyl)methylene]-3-oxo-benzofuran-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[(3,4-dichlorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(3,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(3,4-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(=C1)[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=C(C=C4)Cl)Cl)O3

Isomeric SMILES

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

InChI

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