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

Systemtic Name: [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3,4-dimethoxybenzoate Openeye Name: [(2Z)-2-[(3-nitrophenyl)methylene]-3-oxo-benzofuran-6-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic 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-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(2Z)-3-keto-2-(3-nitrobenzylidene)coumaran-6-yl] ester Formula: C24H17NO8 MolecularWeight: 447.39368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])O3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/O3)OC

InChI

InChI=1S/C24H17NO8/c1-30-19-9-6-15(12-21(19)31-2)24(27)32-17-7-8-18-20(13-17)33-22(23(18)26)11-14-4-3-5-16(10-14)25(28)29/h3-13H,1-2H3/b22-11-