6-[2-methoxy-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-methoxy-6-oxidanylidene-4-(trifluoromethyl)pyrimidin-1-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one Openeye Name: 6-[2-methoxy-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one CAS Name: 6-[2-methoxy-6-oxo-4-(trifluoromethyl)-1-pyrimidinyl]-4-prop-2-ynyl-1,4-benzoxazin-3-one IUPAC Name: 6-[2-methoxy-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one Traditional Name: 6-[6-keto-2-methoxy-4-(trifluoromethyl)pyrimidin-1-yl]-4-propargyl-1,4-benzoxazin-3-one Formula: C17H12F3N3O4 MolecularWeight: 379.29009

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=CC(=O)N1C2=CC3=C(C=C2)OCC(=O)N3CC#C)C(F)(F)F

Isomeric SMILES

COC1=NC(=CC(=O)N1C2=CC3=C(C=C2)OCC(=O)N3CC#C)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O4/c1-3-6-22-11-7-10(4-5-12(11)27-9-15(22)25)23-14(24)8-13(17(18,19)20)21-16(23)26-2/h1,4-5,7-8H,6,9H2,2H3