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

Systemtic Name: (2E)-1-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-2-[oxidanyl(phenyl)methylidene]butane-1,3-dione Openeye Name: (2E)-1-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-2-[hydroxy(phenyl)methylene]butane-1,3-dione CAS Name: (2E)-1-(3-ethyl-2-methyl-5-nitro-4-imidazolyl)-2-[hydroxy(phenyl)methylidene]butane-1,3-dione IUPAC Name: (2E)-1-(3-ethyl-2-methyl-5-nitroimidazol-4-yl)-2-[hydroxy(phenyl)methylidene]butane-1,3-dione Traditional Name: (2E)-1-(3-ethyl-2-methyl-5-nitro-imidazol-4-yl)-2-[hydroxy(phenyl)methylene]butane-1,3-dione Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C1C(=O)C(=C(C2=CC=CC=C2)O)C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=NC(=C1C(=O)/C(=C(\C2=CC=CC=C2)/O)/C(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O5/c1-4-19-11(3)18-17(20(24)25)14(19)16(23)13(10(2)21)15(22)12-8-6-5-7-9-12/h5-9,22H,4H2,1-3H3/b15-13+