N'-(3-ethynylphenyl)-2-oxidanylidene-N-[[2-(trifluoromethyl)phenyl]amino]propanimidamide

Systemtic Name: N'-(3-ethynylphenyl)-2-oxidanylidene-N-[[2-(trifluoromethyl)phenyl]amino]propanimidamide Openeye Name: N'-(3-ethynylphenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanamidine CAS Name: N'-(3-ethynylphenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide IUPAC Name: N'-(3-ethynylphenyl)-2-oxo-N-[2-(trifluoromethyl)anilino]propanimidamide Traditional Name: N'-(3-ethynylphenyl)-2-keto-N-[2-(trifluoromethyl)anilino]propionamidine Formula: C18H14F3N3O MolecularWeight: 345.31847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NC1=CC=CC(=C1)C#C)NNC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(=O)C(=NC1=CC=CC(=C1)C#C)NNC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H14F3N3O/c1-3-13-7-6-8-14(11-13)22-17(12(2)25)24-23-16-10-5-4-9-15(16)18(19,20)21/h1,4-11,23H,2H3,(H,22,24)