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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C=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/c1-31-19-11-6-15(23(32-2)24(19)33-3)12-21-22(27)18-10-9-17(13-20(18)35-21)34-25(28)14-4-7-16(8-5-14)26(29)30/h4-13H,1-3H3