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

Systemtic Name: 5-(8-bromanyl-4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-2-fluoranyl-benzenecarbonitrile Openeye Name: 5-(8-bromo-4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-fluoro-benzonitrile CAS Name: 5-(8-bromo-4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-fluorobenzonitrile IUPAC Name: 5-(8-bromo-4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-2-fluorobenzonitrile Traditional Name: 5-(8-bromo-2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-2-fluoro-benzonitrile Formula: C17H12BrFN2O2 MolecularWeight: 375.191783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrFN2O2/c1-17(2)12-6-10(7-13(18)15(12)21-16(22)23-17)9-3-4-14(19)11(5-9)8-20/h3-7H,1-2H3,(H,21,22)