N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]oxy]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxy-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C16H17F3N8O5 MolecularWeight: 458.35199

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(F)(F)F)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

Isomeric SMILES

CN1C(=CC(=N1)C(F)(F)F)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

InChI

InChI=1S/C16H17F3N8O5/c1-25-11(5-9(24-25)16(17,18)19)32-15-12(27(30)31)13(22-7-23-15)26-4-2-3-8(26)14(29)21-6-10(20)28/h5,7-8H,2-4,6H2,1H3,(H2,20,28)(H,21,29)