7-fluoranyl-6-[4-methyl-3-oxidanylidene-5-(trifluoromethyl)-4H-pyridazin-2-ium-2-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one

Systemtic Name: 7-fluoranyl-6-[4-methyl-3-oxidanylidene-5-(trifluoromethyl)-4H-pyridazin-2-ium-2-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one Openeye Name: 7-fluoro-6-[4-methyl-3-oxo-5-(trifluoromethyl)-4H-pyridazin-2-ium-2-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one CAS Name: 7-fluoro-6-[4-methyl-3-oxo-5-(trifluoromethyl)-4H-pyridazin-2-ium-2-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one IUPAC Name: 7-fluoro-6-[4-methyl-3-oxo-5-(trifluoromethyl)-4H-pyridazin-2-ium-2-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one Traditional Name: 7-fluoro-6-[3-keto-4-methyl-5-(trifluoromethyl)-4H-pyridazin-2-ium-2-yl]-4-propargyl-1,4-benzoxazin-3-one Formula: C17H12F4N3O3+ MolecularWeight: 382.289093

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CN=[N+](C1=O)C2=C(C=C3C(=C2)N(C(=O)CO3)CC#C)F)C(F)(F)F

Isomeric SMILES

CC1C(=CN=[N+](C1=O)C2=C(C=C3C(=C2)N(C(=O)CO3)CC#C)F)C(F)(F)F

InChI

InChI=1S/C17H12F4N3O3/c1-3-4-23-13-6-12(11(18)5-14(13)27-8-15(23)25)24-16(26)9(2)10(7-22-24)17(19,20)21/h1,5-7,9H,4,8H2,2H3/q+1