(2-cyano-4,5-dimethoxy-phenyl)azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (2-cyano-4,5-dimethoxy-phenyl)azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (2-cyano-4,5-dimethoxy-phenyl)ammonium; 2,2,2-trifluoroacetate CAS Name: (2-cyano-4,5-dimethoxyphenyl)ammonium; 2,2,2-trifluoroacetate IUPAC Name: (2-cyano-4,5-dimethoxyphenyl)azanium; 2,2,2-trifluoroacetate Traditional Name: (2-cyano-4,5-dimethoxy-phenyl)ammonium; 2,2,2-trifluoroacetate Formula: C11H11F3N2O4 MolecularWeight: 292.21125

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)[NH3+])OC.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)[NH3+])OC.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C9H10N2O2.C2HF3O2/c1-12-8-3-6(5-10)7(11)4-9(8)13-2;3-2(4,5)1(6)7/h3-4H,11H2,1-2H3;(H,6,7)