(5S)-2-phenyl-5-(propanoylamino)-5-(trifluoromethyl)imidazol-4-olate

Systemtic Name: (5S)-2-phenyl-5-(propanoylamino)-5-(trifluoromethyl)imidazol-4-olate Openeye Name: (5S)-2-phenyl-5-(propanoylamino)-5-(trifluoromethyl)imidazol-4-olate CAS Name: (5S)-5-(1-oxopropylamino)-2-phenyl-5-(trifluoromethyl)-4-imidazololate IUPAC Name: (5S)-2-phenyl-5-(propanoylamino)-5-(trifluoromethyl)imidazol-4-olate Traditional Name: (5S)-2-phenyl-5-propionamido-5-(trifluoromethyl)imidazol-4-olate Formula: C13H11F3N3O2- MolecularWeight: 298.24055

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1(C(=NC(=N1)C2=CC=CC=C2)[O-])C(F)(F)F

Isomeric SMILES

CCC(=O)N[C@]1(C(=NC(=N1)C2=CC=CC=C2)[O-])C(F)(F)F

InChI

InChI=1S/C13H12F3N3O2/c1-2-9(20)18-12(13(14,15)16)11(21)17-10(19-12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,18,20)(H,17,19,21)/p-1/t12-/m0/s1