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

Systemtic Name: 3-bromanyl-4-[(3-ethoxy-4-oxidanyl-phenyl)methylamino]benzenecarbonitrile Openeye Name: 3-bromo-4-[(3-ethoxy-4-hydroxy-phenyl)methylamino]benzonitrile CAS Name: 3-bromo-4-[(3-ethoxy-4-hydroxyphenyl)methylamino]benzonitrile IUPAC Name: 3-bromo-4-[(3-ethoxy-4-hydroxyphenyl)methylamino]benzonitrile Traditional Name: 3-bromo-4-[(3-ethoxy-4-hydroxy-benzyl)amino]benzonitrile Formula: C16H15BrN2O2 MolecularWeight: 347.2065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)C#N)Br)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC2=C(C=C(C=C2)C#N)Br)O

InChI

InChI=1S/C16H15BrN2O2/c1-2-21-16-8-12(4-6-15(16)20)10-19-14-5-3-11(9-18)7-13(14)17/h3-8,19-20H,2,10H2,1H3