[3-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-nitrobenzoate

Systemtic Name: [3-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-nitrobenzoate Openeye Name: [3-oxo-2-[(3,4,5-trimethoxyphenyl)methylene]benzofuran-6-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-6-benzofuranyl] ester IUPAC Name: [3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-6-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-keto-2-(3,4,5-trimethoxybenzylidene)coumaran-6-yl] ester Formula: C25H19NO9 MolecularWeight: 477.41966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19NO9/c1-31-21-11-14(12-22(32-2)24(21)33-3)10-20-23(27)18-9-8-17(13-19(18)35-20)34-25(28)15-4-6-16(7-5-15)26(29)30/h4-13H,1-3H3