5-fluoranyl-1-[1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]pyrimidine-2,4-dione

Systemtic Name: 5-fluoranyl-1-[1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]pyrimidine-2,4-dione Openeye Name: 5-fluoro-1-[1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]pyrimidine-2,4-dione CAS Name: 5-fluoro-1-[1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]pyrimidine-2,4-dione IUPAC Name: 5-fluoro-1-[1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl]pyrimidine-2,4-dione Traditional Name: 5-fluoro-1-(1-nosyl-3,5-dihydro-2H-4,1-benzoxazepin-3-yl)pyrimidine-2,4-quinone Formula: C19H15FN4O7S MolecularWeight: 462.408403

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=C(C(=O)NC4=O)F

Isomeric SMILES

C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=C(C(=O)NC4=O)F

InChI

InChI=1S/C19H15FN4O7S/c20-15-9-22(19(26)21-18(15)25)17-10-23(16-4-2-1-3-12(16)11-31-17)32(29,30)14-7-5-13(6-8-14)24(27)28/h1-9,17H,10-11H2,(H,21,25,26)