(2E)-2-(imidazol-1-ylmethylidene)-5-nitro-1-benzofuran-3-one

Systemtic Name: (2E)-2-(imidazol-1-ylmethylidene)-5-nitro-1-benzofuran-3-one Openeye Name: (2E)-2-(imidazol-1-ylmethylene)-5-nitro-benzofuran-3-one CAS Name: (2E)-2-(1-imidazolylmethylidene)-5-nitro-3-benzofuranone IUPAC Name: (2E)-2-(imidazol-1-ylmethylidene)-5-nitro-1-benzofuran-3-one Traditional Name: (2E)-2-(imidazol-1-ylmethylene)-5-nitro-coumaran-3-one Formula: C12H7N3O4 MolecularWeight: 257.20168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=CN3C=CN=C3)O2

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)/C(=C\N3C=CN=C3)/O2

InChI

InChI=1S/C12H7N3O4/c16-12-9-5-8(15(17)18)1-2-10(9)19-11(12)6-14-4-3-13-7-14/h1-7H/b11-6+