3-(2-fluoranyl-4-nitro-5-prop-2-ynoxy-phenyl)-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 3-(2-fluoranyl-4-nitro-5-prop-2-ynoxy-phenyl)-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 3-(2-fluoro-4-nitro-5-prop-2-ynoxy-phenyl)-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 3-(2-fluoro-4-nitro-5-prop-2-ynoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 3-(2-fluoro-4-nitro-5-prop-2-ynoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 3-(2-fluoro-4-nitro-5-propargyloxy-phenyl)-6-(trifluoromethyl)pyrimidin-4-one Formula: C14H7F4N3O4 MolecularWeight: 357.216693

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C(=C1)N2C=NC(=CC2=O)C(F)(F)F)F)[N+](=O)[O-]

Isomeric SMILES

C#CCOC1=C(C=C(C(=C1)N2C=NC(=CC2=O)C(F)(F)F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H7F4N3O4/c1-2-3-25-11-5-9(8(15)4-10(11)21(23)24)20-7-19-12(6-13(20)22)14(16,17)18/h1,4-7H,3H2