3-methoxy-7-nitro-3-thiophen-2-yl-2-benzofuran-1-one

Systemtic Name: 3-methoxy-7-nitro-3-thiophen-2-yl-2-benzofuran-1-one Openeye Name: 3-methoxy-7-nitro-3-(2-thienyl)isobenzofuran-1-one CAS Name: 3-methoxy-7-nitro-3-thiophen-2-yl-1-isobenzofuranone IUPAC Name: 3-methoxy-7-nitro-3-thiophen-2-yl-2-benzofuran-1-one Traditional Name: 3-methoxy-7-nitro-3-(2-thienyl)phthalide Formula: C13H9NO5S MolecularWeight: 291.27926

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O1)C3=CC=CS3

Isomeric SMILES

COC1(C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O1)C3=CC=CS3

InChI

InChI=1S/C13H9NO5S/c1-18-13(10-6-3-7-20-10)8-4-2-5-9(14(16)17)11(8)12(15)19-13/h2-7H,1H3