1-cyano-N-(phenylcarbonyl)-1-(2,2,5,5-tetramethyl-1-oxidanyl-imidazol-4-yl)methanamine oxide

Systemtic Name: 1-cyano-N-(phenylcarbonyl)-1-(2,2,5,5-tetramethyl-1-oxidanyl-imidazol-4-yl)methanamine oxide Openeye Name: N-benzoyl-1-cyano-1-(1-hydroxy-2,2,5,5-tetramethyl-imidazol-4-yl)methanamine oxide CAS Name: N-benzoyl-1-cyano-1-(1-hydroxy-2,2,5,5-tetramethyl-4-imidazolyl)methanamine oxide IUPAC Name: N-benzoyl-1-cyano-1-(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methanamine oxide Traditional Name: N-benzoyl-1-cyano-1-(1-hydroxy-2,2,5,5-tetramethyl-3-imidazolin-4-yl)methanamine oxide Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NC(N1O)(C)C)C(C#N)[NH+](C(=O)C2=CC=CC=C2)[O-])C

Isomeric SMILES

CC1(C(=NC(N1O)(C)C)C(C#N)[NH+](C(=O)C2=CC=CC=C2)[O-])C

InChI

InChI=1S/C16H20N4O3/c1-15(2)13(18-16(3,4)20(15)23)12(10-17)19(22)14(21)11-8-6-5-7-9-11/h5-9,12,19,23H,1-4H3