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

Systemtic Name: [2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 3-nitrobenzoate Openeye Name: [2-[(4-nitrophenyl)methylene]-3-oxo-benzofuran-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[(4-nitrophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [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(=C1)[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=C(C=C4)[N+](=O)[O-])O3

Isomeric SMILES

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

InChI

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