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

Systemtic Name: [2-[(2-chlorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-nitrobenzoate Openeye Name: [2-[(2-chlorophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(2-chlorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(2-chlorobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C22H12ClNO6 MolecularWeight: 421.78678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H12ClNO6/c23-18-4-2-1-3-14(18)11-20-21(25)17-10-9-16(12-19(17)30-20)29-22(26)13-5-7-15(8-6-13)24(27)28/h1-12H