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

Systemtic Name: 2-[4-(cyanomethyl)-6-fluoranyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-(cyanomethyl)-6-fluoro-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[4-(cyanomethyl)-6-fluoro-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-(cyanomethyl)-6-fluoro-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-(cyanomethyl)-6-fluoro-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C12H9FN2O4 MolecularWeight: 264.209263

Click to see the large picture

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)