3-(4,4-dimethyl-8-oxidanyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-(4,4-dimethyl-8-oxidanyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-fluoro-5-(8-hydroxy-4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzonitrile CAS Name: 3-fluoro-5-(8-hydroxy-4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzonitrile IUPAC Name: 3-fluoro-5-(8-hydroxy-4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)benzonitrile Traditional Name: 3-fluoro-5-(8-hydroxy-2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)benzonitrile Formula: C17H13FN2O3 MolecularWeight: 312.295123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13FN2O3/c1-17(2)13-6-11(7-14(21)15(13)20-16(22)23-17)10-3-9(8-19)4-12(18)5-10/h3-7,21H,1-2H3,(H,20,22)