carbanide; (Z)-4,4,4-tris(fluoranyl)-1-phenyl-3-phenylazanyl-but-2-en-1-one; zirconium

Systemtic Name: carbanide; (Z)-4,4,4-tris(fluoranyl)-1-phenyl-3-phenylazanyl-but-2-en-1-one; zirconium Openeye Name: (Z)-3-anilino-4,4,4-trifluoro-1-phenyl-but-2-en-1-one; carbanide; zirconium CAS Name: (Z)-3-anilino-4,4,4-trifluoro-1-phenyl-2-buten-1-one; carbanide; zirconium IUPAC Name: (Z)-3-anilino-4,4,4-trifluoro-1-phenylbut-2-en-1-one; carbanide; zirconium Traditional Name: (Z)-3-anilino-4,4,4-trifluoro-1-phenyl-but-2-en-1-one; carbanide; zirconium Formula: C19H21F3NOZr-3 MolecularWeight: 427.59535

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].[CH3-].C1=CC=C(C=C1)C(=O)C=C(C(F)(F)F)NC2=CC=CC=C2.[Zr]

Isomeric SMILES

[CH3-].[CH3-].[CH3-].C1=CC=C(C=C1)C(=O)/C=C(/C(F)(F)F)\NC2=CC=CC=C2.[Zr]

InChI

InChI=1S/C16H12F3NO.3CH3.Zr/c17-16(18,19)15(20-13-9-5-2-6-10-13)11-14(21)12-7-3-1-4-8-12;;;;/h1-11,20H;3*1H3;/q;3*-1;/b15-11-;;;;