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

Systemtic Name: [(2Z)-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-nitrobenzoate Openeye Name: [(2Z)-2-[(4-nitrophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2Z)-2-[(4-nitrophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2Z)-3-keto-2-(4-nitrobenzylidene)coumaran-6-yl] ester Formula: C22H12N2O8 MolecularWeight: 432.33928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H12N2O8/c25-21-18-10-9-17(31-22(26)14-3-7-16(8-4-14)24(29)30)12-19(18)32-20(21)11-13-1-5-15(6-2-13)23(27)28/h1-12H/b20-11-