2-[3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-5-fluoranyl-phenyl]ethanenitrile

Systemtic Name: 2-[3-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-5-fluoranyl-phenyl]ethanenitrile Openeye Name: 2-[3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-5-fluoro-phenyl]acetonitrile CAS Name: 2-[3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-5-fluorophenyl]acetonitrile IUPAC Name: 2-[3-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-5-fluorophenyl]acetonitrile Traditional Name: 2-[3-fluoro-5-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)phenyl]acetonitrile Formula: C18H15FN2O2 MolecularWeight: 310.322303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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