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

Systemtic Name: ethyl 2-[1-azanyl-3-methyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1-amino-3-methyl-2,5-dioxo-pyrrolidin-1-ium-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(1-amino-3-methyl-2,5-dioxo-1-pyrrolidin-1-iumyl)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-amino-3-methyl-2,5-dioxopyrrolidin-1-ium-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(1-amino-2,5-diketo-3-methyl-pyrrolidin-1-ium-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C13H14F3N4O4+ MolecularWeight: 347.26987

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)[N+]2(C(=O)CC(C2=O)C)N

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C(F)(F)F)[N+]2(C(=O)CC(C2=O)C)N

InChI

InChI=1S/C13H14F3N4O4/c1-3-24-11(23)7-5-18-12(19-9(7)13(14,15)16)20(17)8(21)4-6(2)10(20)22/h5-6H,3-4,17H2,1-2H3/q+1