2-[4-(cyanomethyl)-6-fluoranyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[4-(cyanomethyl)-6-fluoranyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[4-(cyanomethyl)-6-fluoro-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[4-(cyanomethyl)-6-fluoro-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[4-(cyanomethyl)-6-fluoro-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[4-(cyanomethyl)-6-fluoro-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C12H8FN2O4- MolecularWeight: 263.201323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)N(C(=O)C(O2)CC(=O)[O-])CC#N

Isomeric SMILES

C1=CC2=C(C=C1F)N(C(=O)C(O2)CC(=O)[O-])CC#N

InChI

InChI=1S/C12H9FN2O4/c13-7-1-2-9-8(5-7)15(4-3-14)12(18)10(19-9)6-11(16)17/h1-2,5,10H,4,6H2,(H,16,17)/p-1