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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(2-chloranyl-4-fluoranyl-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(2-chloro-4-fluoro-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-(2-chloro-4-fluorophenoxy)-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(2-chloro-4-fluorophenoxy)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(2-chloro-4-fluoro-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C17H16ClFN6O5 MolecularWeight: 438.797543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClFN6O5/c18-10-6-9(19)3-4-12(10)30-17-14(25(28)29)15(22-8-23-17)24-5-1-2-11(24)16(27)21-7-13(20)26/h3-4,6,8,11H,1-2,5,7H2,(H2,20,26)(H,21,27)