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

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]benzenecarbonitrile Openeye Name: 4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]benzonitrile CAS Name: 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]benzonitrile IUPAC Name: 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]benzonitrile Traditional Name: 4-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]benzonitrile Formula: C15H13BrN2O2 MolecularWeight: 333.17992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN2O2/c1-20-14-7-11(6-13(16)15(14)19)9-18-12-4-2-10(8-17)3-5-12/h2-7,18-19H,9H2,1H3