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

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]-2-chloranyl-benzenecarbonitrile Openeye Name: 4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]-2-chloro-benzonitrile CAS Name: 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-chlorobenzonitrile IUPAC Name: 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-chlorobenzonitrile Traditional Name: 4-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]-2-chloro-benzonitrile Formula: C15H12BrClN2O2 MolecularWeight: 367.62498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrClN2O2/c1-21-14-5-9(4-12(16)15(14)20)8-19-11-3-2-10(7-18)13(17)6-11/h2-6,19-20H,8H2,1H3