3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-fluoro-benzonitrile CAS Name: 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-fluorobenzonitrile IUPAC Name: 3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-fluorobenzonitrile Traditional Name: 4-fluoro-3-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)benzonitrile Formula: C17H13FN2O2 MolecularWeight: 296.295723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13FN2O2/c1-17(2)13-8-11(4-6-15(13)20-16(21)22-17)12-7-10(9-19)3-5-14(12)18/h3-8H,1-2H3,(H,20,21)