2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]-6-fluoro-benzonitrile CAS Name: 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-6-fluorobenzonitrile IUPAC Name: 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-6-fluorobenzonitrile Traditional Name: 2-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]-6-fluoro-benzonitrile Formula: C15H12BrFN2O2 MolecularWeight: 351.170383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=C(C(=CC=C2)F)C#N)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=C(C(=CC=C2)F)C#N)Br)O

InChI

InChI=1S/C15H12BrFN2O2/c1-21-14-6-9(5-11(16)15(14)20)8-19-13-4-2-3-12(17)10(13)7-18/h2-6,19-20H,8H2,1H3