4,4,4-tris(fluoranyl)-2-methyl-3-(nitromethyl)-2-oxidanyl-N-phenyl-butanamide

Systemtic Name: 4,4,4-tris(fluoranyl)-2-methyl-3-(nitromethyl)-2-oxidanyl-N-phenyl-butanamide Openeye Name: 4,4,4-trifluoro-2-hydroxy-2-methyl-3-(nitromethyl)-N-phenyl-butanamide CAS Name: 4,4,4-trifluoro-2-hydroxy-2-methyl-3-(nitromethyl)-N-phenylbutanamide IUPAC Name: 4,4,4-trifluoro-2-hydroxy-2-methyl-3-(nitromethyl)-N-phenylbutanamide Traditional Name: 4,4,4-trifluoro-2-hydroxy-2-methyl-3-(nitromethyl)-N-phenyl-butyramide Formula: C12H13F3N2O4 MolecularWeight: 306.23783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C[N+](=O)[O-])C(F)(F)F)(C(=O)NC1=CC=CC=C1)O

Isomeric SMILES

CC(C(C[N+](=O)[O-])C(F)(F)F)(C(=O)NC1=CC=CC=C1)O

InChI

InChI=1S/C12H13F3N2O4/c1-11(19,9(7-17(20)21)12(13,14)15)10(18)16-8-5-3-2-4-6-8/h2-6,9,19H,7H2,1H3,(H,16,18)