4-[3-azanyl-1,1,1-tris(fluoranyl)propan-2-yl]-6-bromanyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-azanyl-1,1,1-tris(fluoranyl)propan-2-yl]-6-bromanyl-1,4-benzoxazin-3-one Openeye Name: 4-[1-(aminomethyl)-2,2,2-trifluoro-ethyl]-6-bromo-1,4-benzoxazin-3-one CAS Name: 4-(3-amino-1,1,1-trifluoropropan-2-yl)-6-bromo-1,4-benzoxazin-3-one IUPAC Name: 4-(3-amino-1,1,1-trifluoropropan-2-yl)-6-bromo-1,4-benzoxazin-3-one Traditional Name: 4-[1-(aminomethyl)-2,2,2-trifluoro-ethyl]-6-bromo-1,4-benzoxazin-3-one Formula: C11H10BrF3N2O2 MolecularWeight: 339.10851

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)Br)C(CN)C(F)(F)F

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)Br)C(CN)C(F)(F)F

InChI

InChI=1S/C11H10BrF3N2O2/c12-6-1-2-8-7(3-6)17(10(18)5-19-8)9(4-16)11(13,14)15/h1-3,9H,4-5,16H2