1-methyl-3-(6-nitro-5-prop-2-ynoxy-1-benzofuran-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione

Systemtic Name: 1-methyl-3-(6-nitro-5-prop-2-ynoxy-1-benzofuran-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione Openeye Name: 1-methyl-3-(6-nitro-5-prop-2-ynoxy-benzofuran-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione CAS Name: 1-methyl-3-(6-nitro-5-prop-2-ynoxy-3-benzofuranyl)-6-(trifluoromethyl)pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-(6-nitro-5-prop-2-ynoxy-1-benzofuran-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione Traditional Name: 1-methyl-3-(6-nitro-5-propargyloxy-benzofuran-3-yl)-6-(trifluoromethyl)pyrimidine-2,4-quinone Formula: C17H10F3N3O6 MolecularWeight: 409.27301

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C2=COC3=CC(=C(C=C32)OCC#C)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C2=COC3=CC(=C(C=C32)OCC#C)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H10F3N3O6/c1-3-4-28-13-5-9-11(8-29-12(9)6-10(13)23(26)27)22-15(24)7-14(17(18,19)20)21(2)16(22)25/h1,5-8H,4H2,2H3