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

Systemtic Name: (2E)-1-(3-methyl-5-nitro-imidazol-4-yl)-2-[oxidanyl(phenyl)methylidene]butane-1,3-dione Openeye Name: (2E)-2-[hydroxy(phenyl)methylene]-1-(3-methyl-5-nitro-imidazol-4-yl)butane-1,3-dione CAS Name: (2E)-2-[hydroxy(phenyl)methylidene]-1-(3-methyl-5-nitro-4-imidazolyl)butane-1,3-dione IUPAC Name: (2E)-2-[hydroxy(phenyl)methylidene]-1-(3-methyl-5-nitroimidazol-4-yl)butane-1,3-dione Traditional Name: (2E)-2-[hydroxy(phenyl)methylene]-1-(3-methyl-5-nitro-imidazol-4-yl)butane-1,3-dione Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(C1=CC=CC=C1)O)C(=O)C2=C(N=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C(/C1=CC=CC=C1)\O)/C(=O)C2=C(N=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5/c1-9(19)11(13(20)10-6-4-3-5-7-10)14(21)12-15(18(22)23)16-8-17(12)2/h3-8,20H,1-2H3/b13-11+