3-(7-fluoranyl-3-oxidanylidene-4-prop-2-ynoxy-4H-1,2-benzoxazin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

Systemtic Name: 3-(7-fluoranyl-3-oxidanylidene-4-prop-2-ynoxy-4H-1,2-benzoxazin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione Openeye Name: 3-(7-fluoro-3-oxo-4-prop-2-ynoxy-4H-1,2-benzoxazin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione CAS Name: 3-(7-fluoro-3-oxo-4-prop-2-ynoxy-4H-1,2-benzoxazin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione IUPAC Name: 3-(7-fluoro-3-oxo-4-prop-2-ynoxy-4H-1,2-benzoxazin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione Traditional Name: 3-(7-fluoro-3-keto-4-propargyloxy-4H-1,2-benzoxazin-6-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-quinone Formula: C17H11F4N3O5 MolecularWeight: 413.279953

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C2=C(C=C3C(=C2)C(C(=O)NO3)OCC#C)F)C(F)(F)F

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C2=C(C=C3C(=C2)C(C(=O)NO3)OCC#C)F)C(F)(F)F

InChI

InChI=1S/C17H11F4N3O5/c1-3-4-28-14-8-5-10(9(18)6-11(8)29-22-15(14)26)24-13(25)7-12(17(19,20)21)23(2)16(24)27/h1,5-7,14H,4H2,2H3,(H,22,26)