(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]-6-pyrimidin-2-yloxy-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(5-nitrothiophen-2-yl)methylidene]-6-pyrimidin-2-yloxy-1-benzofuran-3-one Openeye Name: (2Z)-2-[(5-nitro-2-thienyl)methylene]-6-pyrimidin-2-yloxy-benzofuran-3-one CAS Name: (2Z)-2-[(5-nitro-2-thiophenyl)methylidene]-6-(2-pyrimidinyloxy)-3-benzofuranone IUPAC Name: (2Z)-2-[(5-nitrothiophen-2-yl)methylidene]-6-pyrimidin-2-yloxy-1-benzofuran-3-one Traditional Name: (2Z)-2-[(5-nitro-2-thienyl)methylene]-6-(2-pyrimidyloxy)coumaran-3-one Formula: C17H9N3O5S MolecularWeight: 367.33546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=C(S4)[N+](=O)[O-])O3

Isomeric SMILES

C1=CN=C(N=C1)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=C(S4)[N+](=O)[O-])/O3

InChI

InChI=1S/C17H9N3O5S/c21-16-12-4-2-10(24-17-18-6-1-7-19-17)8-13(12)25-14(16)9-11-3-5-15(26-11)20(22)23/h1-9H/b14-9-