3-[1-(diethoxymethyl)-4,4-dimethyl-2-oxidanylidene-3,1-benzoxazin-6-yl]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[1-(diethoxymethyl)-4,4-dimethyl-2-oxidanylidene-3,1-benzoxazin-6-yl]-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-[1-(diethoxymethyl)-4,4-dimethyl-2-oxo-3,1-benzoxazin-6-yl]-5-fluoro-benzonitrile CAS Name: 3-[1-(diethoxymethyl)-4,4-dimethyl-2-oxo-3,1-benzoxazin-6-yl]-5-fluorobenzonitrile IUPAC Name: 3-[1-(diethoxymethyl)-4,4-dimethyl-2-oxo-3,1-benzoxazin-6-yl]-5-fluorobenzonitrile Traditional Name: 3-[1-(diethoxymethyl)-2-keto-4,4-dimethyl-3,1-benzoxazin-6-yl]-5-fluoro-benzonitrile Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(N1C2=C(C=C(C=C2)C3=CC(=CC(=C3)C#N)F)C(OC1=O)(C)C)OCC

Isomeric SMILES

CCOC(N1C2=C(C=C(C=C2)C3=CC(=CC(=C3)C#N)F)C(OC1=O)(C)C)OCC

InChI

InChI=1S/C22H23FN2O4/c1-5-27-21(28-6-2)25-19-8-7-15(12-18(19)22(3,4)29-20(25)26)16-9-14(13-24)10-17(23)11-16/h7-12,21H,5-6H2,1-4H3