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

Systemtic Name: 2-[4-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-2-fluoranyl-phenyl]ethanenitrile Openeye Name: 2-[4-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-fluoro-phenyl]acetonitrile CAS Name: 2-[4-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-fluorophenyl]acetonitrile IUPAC Name: 2-[4-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-fluorophenyl]acetonitrile Traditional Name: 2-[2-fluoro-4-(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(=C(C=C3)CC#N)F)NC(=O)O1)C

Isomeric SMILES

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

InChI

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