N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(4-cyano-3-fluoranyl-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(4-cyano-3-fluoranyl-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(4-cyano-3-fluoro-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-(4-cyano-3-fluorophenoxy)-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(4-cyano-3-fluorophenoxy)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(4-cyano-3-fluoro-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C18H16FN7O5 MolecularWeight: 429.361943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)OC3=CC(=C(C=C3)C#N)F)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)OC3=CC(=C(C=C3)C#N)F)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C18H16FN7O5/c19-12-6-11(4-3-10(12)7-20)31-18-15(26(29)30)16(23-9-24-18)25-5-1-2-13(25)17(28)22-8-14(21)27/h3-4,6,9,13H,1-2,5,8H2,(H2,21,27)(H,22,28)