(2Z)-2-[ethoxy(oxidanyl)methylidene]-1-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)butane-1,3-dione

Systemtic Name: (2Z)-2-[ethoxy(oxidanyl)methylidene]-1-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)butane-1,3-dione Openeye Name: (2Z)-2-[ethoxy(hydroxy)methylene]-1-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)butane-1,3-dione CAS Name: (2Z)-2-[ethoxy(hydroxy)methylidene]-1-(3-ethyl-2-methyl-5-nitro-4-imidazolyl)butane-1,3-dione IUPAC Name: (2Z)-2-[ethoxy(hydroxy)methylidene]-1-(3-ethyl-2-methyl-5-nitroimidazol-4-yl)butane-1,3-dione Traditional Name: (2Z)-2-[ethoxy(hydroxy)methylene]-1-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)butane-1,3-dione Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C1C(=O)C(=C(O)OCC)C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=NC(=C1C(=O)/C(=C(/O)\OCC)/C(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H17N3O6/c1-5-15-8(4)14-12(16(20)21)10(15)11(18)9(7(3)17)13(19)22-6-2/h19H,5-6H2,1-4H3/b13-9-