3,3-dimethyl-1-(4-nitroimidazol-1-yl)butan-2-one

Systemtic Name: 3,3-dimethyl-1-(4-nitroimidazol-1-yl)butan-2-one Openeye Name: 3,3-dimethyl-1-(4-nitroimidazol-1-yl)butan-2-one CAS Name: 3,3-dimethyl-1-(4-nitro-1-imidazolyl)-2-butanone IUPAC Name: 3,3-dimethyl-1-(4-nitroimidazol-1-yl)butan-2-one Traditional Name: 3,3-dimethyl-1-(4-nitroimidazol-1-yl)butan-2-one Formula: C9H13N3O3 MolecularWeight: 211.21782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C=C(N=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)CN1C=C(N=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H13N3O3/c1-9(2,3)7(13)4-11-5-8(10-6-11)12(14)15/h5-6H,4H2,1-3H3