3-chloranyl-5-(4,4-diethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-(4,4-diethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-chloro-5-(4,4-diethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-fluoro-benzonitrile CAS Name: 3-chloro-5-(4,4-diethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-fluorobenzonitrile IUPAC Name: 3-chloro-5-(4,4-diethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-4-fluorobenzonitrile Traditional Name: 3-chloro-5-(4,4-diethyl-2-keto-1H-3,1-benzoxazin-6-yl)-4-fluoro-benzonitrile Formula: C19H16ClFN2O2 MolecularWeight: 358.793943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=C(C(=CC(=C3)C#N)Cl)F)NC(=O)O1)CC

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=C(C(=CC(=C3)C#N)Cl)F)NC(=O)O1)CC

InChI

InChI=1S/C19H16ClFN2O2/c1-3-19(4-2)14-9-12(5-6-16(14)23-18(24)25-19)13-7-11(10-22)8-15(20)17(13)21/h5-9H,3-4H2,1-2H3,(H,23,24)