N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[2,6-bis(fluoranyl)-4-propanoyl-phenoxy]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[2,6-bis(fluoranyl)-4-propanoyl-phenoxy]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(2,6-difluoro-4-propanoyl-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[2,6-difluoro-4-(1-oxopropyl)phenoxy]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(2,6-difluoro-4-propanoylphenoxy)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(2,6-difluoro-4-propionyl-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C20H20F2N6O6 MolecularWeight: 478.406206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C(=C1)F)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N)F

Isomeric SMILES

CCC(=O)C1=CC(=C(C(=C1)F)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N)F

InChI

InChI=1S/C20H20F2N6O6/c1-2-14(29)10-6-11(21)17(12(22)7-10)34-20-16(28(32)33)18(25-9-26-20)27-5-3-4-13(27)19(31)24-8-15(23)30/h6-7,9,13H,2-5,8H2,1H3,(H2,23,30)(H,24,31)