(3E)-3-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methylidene]oxolan-2-one

Systemtic Name: (3E)-3-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methylidene]oxolan-2-one Openeye Name: (3E)-3-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methylene]tetrahydrofuran-2-one CAS Name: (3E)-3-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-oxolanone IUPAC Name: (3E)-3-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methylidene]oxolan-2-one Traditional Name: (3E)-3-[methoxy-(6-nitro-1,3-benzodioxol-5-yl)methylene]tetrahydrofuran-2-one Formula: C13H11NO7 MolecularWeight: 293.22894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1CCOC1=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CO/C(=C/1\CCOC1=O)/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C13H11NO7/c1-18-12(7-2-3-19-13(7)15)8-4-10-11(21-6-20-10)5-9(8)14(16)17/h4-5H,2-3,6H2,1H3/b12-7+