[(2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [(2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [(2E)-2-[(3-nitrophenyl)methylene]-3-oxo-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [(2E)-2-[(3-nitrophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2E)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [(2E)-3-keto-2-(3-nitrobenzylidene)coumaran-6-yl] ester Formula: C23H13NO8 MolecularWeight: 431.35122

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=CC5=CC(=CC=C5)[N+](=O)[O-])O4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)/C(=C\C5=CC(=CC=C5)[N+](=O)[O-])/O4

InChI

InChI=1S/C23H13NO8/c25-22-17-6-5-16(31-23(26)14-4-7-18-20(10-14)30-12-29-18)11-19(17)32-21(22)9-13-2-1-3-15(8-13)24(27)28/h1-11H,12H2/b21-9+