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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC

InChI

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