(2Z)-2-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]-4,6-bis(oxidanyl)-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]-4,6-bis(oxidanyl)-1-benzofuran-3-one Openeye Name: (2Z)-4,6-dihydroxy-2-[(1-methyl-5-nitro-imidazol-2-yl)methylene]benzofuran-3-one CAS Name: (2Z)-4,6-dihydroxy-2-[(1-methyl-5-nitro-2-imidazolyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-4,6-dihydroxy-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-4,6-dihydroxy-2-[(1-methyl-5-nitro-imidazol-2-yl)methylene]coumaran-3-one Formula: C13H9N3O6 MolecularWeight: 303.22706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C=C2C(=O)C3=C(C=C(C=C3O2)O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1/C=C\2/C(=O)C3=C(C=C(C=C3O2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O6/c1-15-10(14-5-11(15)16(20)21)4-9-13(19)12-7(18)2-6(17)3-8(12)22-9/h2-5,17-18H,1H3/b9-4-