3-bromanyl-4-[(3-ethoxy-2-oxidanyl-phenyl)methylamino]benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-[(3-ethoxy-2-oxidanyl-phenyl)methylamino]benzenecarbonitrile Openeye Name: 3-bromo-4-[(3-ethoxy-2-hydroxy-phenyl)methylamino]benzonitrile CAS Name: 3-bromo-4-[(3-ethoxy-2-hydroxyphenyl)methylamino]benzonitrile IUPAC Name: 3-bromo-4-[(3-ethoxy-2-hydroxyphenyl)methylamino]benzonitrile Traditional Name: 3-bromo-4-[(3-ethoxy-2-hydroxy-benzyl)amino]benzonitrile Formula: C16H15BrN2O2 MolecularWeight: 347.2065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CNC2=C(C=C(C=C2)C#N)Br

Isomeric SMILES

CCOC1=CC=CC(=C1O)CNC2=C(C=C(C=C2)C#N)Br

InChI

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