sodium 3-(4-ethyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidin-1-ide-2,4-dione

Systemtic Name: sodium 3-(4-ethyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidin-1-ide-2,4-dione Openeye Name: sodium 3-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidin-1-ide-2,4-dione CAS Name: sodium 3-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidin-1-ide-2,4-dione IUPAC Name: sodium 3-(4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidin-1-ide-2,4-dione Traditional Name: sodium 3-(4-ethyl-3-keto-2-methyl-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidin-1-ide-2,4-quinone Formula: C16H13F3N3NaO4 MolecularWeight: 391.2771

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)N3C(=O)C=C([N-]C3=O)C(F)(F)F)OC(C1=O)C.[Na+]

Isomeric SMILES

CCN1C2=C(C=CC(=C2)N3C(=O)C=C([N-]C3=O)C(F)(F)F)OC(C1=O)C.[Na+]

InChI

InChI=1S/C16H14F3N3O4.Na/c1-3-21-10-6-9(4-5-11(10)26-8(2)14(21)24)22-13(23)7-12(16(17,18)19)20-15(22)25;/h4-8H,3H2,1-2H3,(H,20,23,25);/q;+1/p-1