2-[1-cyano-3,3,3-tris(fluoranyl)-2-oxidanylidene-propyl]quinazolin-4-olate

Systemtic Name: 2-[1-cyano-3,3,3-tris(fluoranyl)-2-oxidanylidene-propyl]quinazolin-4-olate Openeye Name: 2-(1-cyano-3,3,3-trifluoro-2-oxo-propyl)quinazolin-4-olate CAS Name: 2-(1-cyano-3,3,3-trifluoro-2-oxopropyl)-4-quinazolinolate IUPAC Name: 2-(1-cyano-3,3,3-trifluoro-2-oxopropyl)quinazolin-4-olate Traditional Name: 2-(1-cyano-3,3,3-trifluoro-2-keto-propyl)quinazolin-4-olate Formula: C12H5F3N3O2- MolecularWeight: 280.18221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(C#N)C(=O)C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(C#N)C(=O)C(F)(F)F)[O-]

InChI

InChI=1S/C12H6F3N3O2/c13-12(14,15)9(19)7(5-16)10-17-8-4-2-1-3-6(8)11(20)18-10/h1-4,7H,(H,17,18,20)/p-1