6-azanyl-4-but-3-yn-2-yl-7-fluoranyl-1,4-benzoxazin-3-one

Systemtic Name: 6-azanyl-4-but-3-yn-2-yl-7-fluoranyl-1,4-benzoxazin-3-one Openeye Name: 6-amino-7-fluoro-4-(1-methylprop-2-ynyl)-1,4-benzoxazin-3-one CAS Name: 6-amino-4-but-3-yn-2-yl-7-fluoro-1,4-benzoxazin-3-one IUPAC Name: 6-amino-4-but-3-yn-2-yl-7-fluoro-1,4-benzoxazin-3-one Traditional Name: 6-amino-7-fluoro-4-(1-methylprop-2-ynyl)-1,4-benzoxazin-3-one Formula: C12H11FN2O2 MolecularWeight: 234.226343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)N1C(=O)COC2=CC(=C(C=C21)N)F

Isomeric SMILES

CC(C#C)N1C(=O)COC2=CC(=C(C=C21)N)F

InChI

InChI=1S/C12H11FN2O2/c1-3-7(2)15-10-5-9(14)8(13)4-11(10)17-6-12(15)16/h1,4-5,7H,6,14H2,2H3