ethyl 2-[2-azanyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-azanyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(2-amino-1,3-dioxo-isoindolin-2-ium-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(2-amino-1,3-dioxo-2-isoindol-2-iumyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-1,3-dioxoisoindol-2-ium-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(2-amino-1,3-diketo-isoindolin-2-ium-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H12F3N4O4+ MolecularWeight: 381.28609

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)[N+]2(C(=O)C3=CC=CC=C3C2=O)N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)[N+]2(C(=O)C3=CC=CC=C3C2=O)N

InChI

InChI=1S/C16H12F3N4O4/c1-2-27-14(26)10-7-21-15(22-11(10)16(17,18)19)23(20)12(24)8-5-3-4-6-9(8)13(23)25/h3-7H,2,20H2,1H3/q+1