3-(1,3-benzodioxol-5-ylmethylidene)-6-nitro-2-benzofuran-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylidene)-6-nitro-2-benzofuran-1-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethylene)-6-nitro-isobenzofuran-1-one CAS Name: 3-(1,3-benzodioxol-5-ylmethylidene)-6-nitro-1-isobenzofuranone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylidene)-6-nitro-2-benzofuran-1-one Traditional Name: 6-nitro-3-piperonylidene-phthalide Formula: C16H9NO6 MolecularWeight: 311.24576

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O3

InChI

InChI=1S/C16H9NO6/c18-16-12-7-10(17(19)20)2-3-11(12)14(23-16)5-9-1-4-13-15(6-9)22-8-21-13/h1-7H,8H2