ethyl 2-ethyl-6,7,8-tris(fluoranyl)-4-oxidanylidene-1H-cinnolin-2-ium-3-carboxylate

Systemtic Name: ethyl 2-ethyl-6,7,8-tris(fluoranyl)-4-oxidanylidene-1H-cinnolin-2-ium-3-carboxylate Openeye Name: ethyl 2-ethyl-6,7,8-trifluoro-4-oxo-1H-cinnolin-2-ium-3-carboxylate CAS Name: 2-ethyl-6,7,8-trifluoro-4-oxo-1H-cinnolin-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-6,7,8-trifluoro-4-oxo-1H-cinnolin-2-ium-3-carboxylate Traditional Name: 2-ethyl-6,7,8-trifluoro-4-keto-1H-cinnolin-2-ium-3-carboxylic acid ethyl ester Formula: C13H12F3N2O3+ MolecularWeight: 301.24119

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(=O)C2=CC(=C(C(=C2N1)F)F)F)C(=O)OCC

Isomeric SMILES

CC[N+]1=C(C(=O)C2=CC(=C(C(=C2N1)F)F)F)C(=O)OCC

InChI

InChI=1S/C13H11F3N2O3/c1-3-18-11(13(20)21-4-2)12(19)6-5-7(14)8(15)9(16)10(6)17-18/h5H,3-4H2,1-2H3/p+1