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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17NO8/c1-30-18-4-3-5-19(31-2)22(18)24(27)32-16-10-11-17-20(13-16)33-21(23(17)26)12-14-6-8-15(9-7-14)25(28)29/h3-13H,1-2H3/b21-12-