5-nitroisoquinolin-2-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 5-nitroisoquinolin-2-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 5-nitroisoquinolin-2-ium; 2,2,2-trifluoroacetate CAS Name: 5-nitroisoquinolin-2-ium; 2,2,2-trifluoroacetate IUPAC Name: 5-nitroisoquinolin-2-ium; 2,2,2-trifluoroacetate Traditional Name: 5-nitroisoquinolin-2-ium; 2,2,2-trifluoroacetate Formula: C11H7F3N2O4 MolecularWeight: 288.17949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C[NH+]=C2)C(=C1)[N+](=O)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC2=C(C=C[NH+]=C2)C(=C1)[N+](=O)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C9H6N2O2.C2HF3O2/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9;3-2(4,5)1(6)7/h1-6H;(H,6,7)