[(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate Openeye Name: [(2Z)-2-[(3-nitrophenyl)methylene]-3-oxo-benzofuran-6-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(2Z)-3-keto-2-(3-nitrobenzylidene)coumaran-6-yl] ester Formula: C25H19NO9 MolecularWeight: 477.41966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])O3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/O3

InChI

InChI=1S/C25H19NO9/c1-31-21-11-15(12-22(32-2)24(21)33-3)25(28)34-17-7-8-18-19(13-17)35-20(23(18)27)10-14-5-4-6-16(9-14)26(29)30/h4-13H,1-3H3/b20-10-