2-azanyl-3-methyl-4-[[4-(trifluoromethyloxy)phenyl]methylidene]-1H-imidazol-3-ium-5-one

Systemtic Name: 2-azanyl-3-methyl-4-[[4-(trifluoromethyloxy)phenyl]methylidene]-1H-imidazol-3-ium-5-one Openeye Name: 2-amino-3-methyl-4-[[4-(trifluoromethoxy)phenyl]methylene]-1H-imidazol-3-ium-5-one CAS Name: 2-amino-3-methyl-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1H-imidazol-3-ium-5-one IUPAC Name: 2-amino-3-methyl-4-[[4-(trifluoromethoxy)phenyl]methylidene]-1H-imidazol-3-ium-5-one Traditional Name: 2-amino-1-methyl-5-[4-(trifluoromethoxy)benzylidene]-2-imidazolin-1-ium-4-one Formula: C12H11F3N3O2+ MolecularWeight: 286.22985

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC(=O)C1=CC2=CC=C(C=C2)OC(F)(F)F)N

Isomeric SMILES

C[N+]1=C(NC(=O)C1=CC2=CC=C(C=C2)OC(F)(F)F)N

InChI

InChI=1S/C12H10F3N3O2/c1-18-9(10(19)17-11(18)16)6-7-2-4-8(5-3-7)20-12(13,14)15/h2-6H,1H3,(H2,16,17,19)/p+1