4-(2-methyl-4-nitro-imidazol-1-yl)butan-2-one

Systemtic Name: 4-(2-methyl-4-nitro-imidazol-1-yl)butan-2-one Openeye Name: 4-(2-methyl-4-nitro-imidazol-1-yl)butan-2-one CAS Name: 4-(2-methyl-4-nitro-1-imidazolyl)-2-butanone IUPAC Name: 4-(2-methyl-4-nitroimidazol-1-yl)butan-2-one Traditional Name: 4-(2-methyl-4-nitro-imidazol-1-yl)butan-2-one Formula: C8H11N3O3 MolecularWeight: 197.19124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CCC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CN1CCC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C8H11N3O3/c1-6(12)3-4-10-5-8(11(13)14)9-7(10)2/h5H,3-4H2,1-2H3