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

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

Click to see the large picture

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=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(=C/C4=C(C=C(C=C4)Cl)Cl)/O3

InChI

InChI=1S/C22H11Cl2NO6/c23-14-5-4-12(18(24)10-14)9-20-21(26)17-7-6-16(11-19(17)31-20)30-22(27)13-2-1-3-15(8-13)25(28)29/h1-11H/b20-9-