3-bromanyl-4-[1-(4-methyl-2-oxidanyl-phenyl)ethylamino]benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-[1-(4-methyl-2-oxidanyl-phenyl)ethylamino]benzenecarbonitrile Openeye Name: 3-bromo-4-[1-(2-hydroxy-4-methyl-phenyl)ethylamino]benzonitrile CAS Name: 3-bromo-4-[1-(2-hydroxy-4-methylphenyl)ethylamino]benzonitrile IUPAC Name: 3-bromo-4-[1-(2-hydroxy-4-methylphenyl)ethylamino]benzonitrile Traditional Name: 3-bromo-4-[1-(2-hydroxy-4-methyl-phenyl)ethylamino]benzonitrile Formula: C16H15BrN2O MolecularWeight: 331.2071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)NC2=C(C=C(C=C2)C#N)Br)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)NC2=C(C=C(C=C2)C#N)Br)O

InChI

InChI=1S/C16H15BrN2O/c1-10-3-5-13(16(20)7-10)11(2)19-15-6-4-12(9-18)8-14(15)17/h3-8,11,19-20H,1-2H3