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

Systemtic Name: (2Z)-2-[(3-methyl-5-nitro-imidazol-4-yl)methylidene]-5-nitro-1-benzofuran-3-one Openeye Name: (2Z)-2-[(3-methyl-5-nitro-imidazol-4-yl)methylene]-5-nitro-benzofuran-3-one CAS Name: (2Z)-2-[(3-methyl-5-nitro-4-imidazolyl)methylidene]-5-nitro-3-benzofuranone IUPAC Name: (2Z)-2-[(3-methyl-5-nitroimidazol-4-yl)methylidene]-5-nitro-1-benzofuran-3-one Traditional Name: (2Z)-2-[(3-methyl-5-nitro-imidazol-4-yl)methylene]-5-nitro-coumaran-3-one Formula: C13H8N4O6 MolecularWeight: 316.22582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1C=C2C(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1/C=C\2/C(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O6/c1-15-6-14-13(17(21)22)9(15)5-11-12(18)8-4-7(16(19)20)2-3-10(8)23-11/h2-6H,1H3/b11-5-