2-[(E)-(3-methyl-4-nitro-1H-imidazol-2-ylidene)methyl]-3-oxidanyl-1-benzofuran-6,7-dione

Systemtic Name: 2-[(E)-(3-methyl-4-nitro-1H-imidazol-2-ylidene)methyl]-3-oxidanyl-1-benzofuran-6,7-dione Openeye Name: 3-hydroxy-2-[(E)-(3-methyl-4-nitro-1H-imidazol-2-ylidene)methyl]benzofuran-6,7-dione CAS Name: 3-hydroxy-2-[(E)-(3-methyl-4-nitro-1H-imidazol-2-ylidene)methyl]benzofuran-6,7-dione IUPAC Name: 3-hydroxy-2-[(E)-(3-methyl-4-nitro-1H-imidazol-2-ylidene)methyl]-1-benzofuran-6,7-dione Traditional Name: 3-hydroxy-2-[(E)-(1-methyl-5-nitro-4-imidazolin-2-ylidene)methyl]benzofuran-6,7-quinone Formula: C13H9N3O6 MolecularWeight: 303.22706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CNC1=CC2=C(C3=C(O2)C(=O)C(=O)C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CN\1C(=CN/C1=C\C2=C(C3=C(O2)C(=O)C(=O)C=C3)O)[N+](=O)[O-]

InChI

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