2-[3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-4-fluoranyl-phenyl]ethanenitrile

Systemtic Name: 2-[3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-4-fluoranyl-phenyl]ethanenitrile Openeye Name: 2-[3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-fluoro-phenyl]acetonitrile CAS Name: 2-[3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-fluorophenyl]acetonitrile IUPAC Name: 2-[3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-fluorophenyl]acetonitrile Traditional Name: 2-[4-fluoro-3-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)phenyl]acetonitrile Formula: C18H15FN2O2 MolecularWeight: 310.322303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=C(C=CC(=C3)CC#N)F)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=C(C=CC(=C3)CC#N)F)NC(=O)O1)C

InChI

InChI=1S/C18H15FN2O2/c1-18(2)14-10-12(4-6-16(14)21-17(22)23-18)13-9-11(7-8-20)3-5-15(13)19/h3-6,9-10H,7H2,1-2H3,(H,21,22)