4-[1-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]ethyl]benzenecarbonitrile

Systemtic Name: 4-[1-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]ethyl]benzenecarbonitrile Openeye Name: 4-[1-[(5-chloro-2-hydroxy-phenyl)methylamino]ethyl]benzonitrile CAS Name: 4-[1-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzonitrile IUPAC Name: 4-[1-[(5-chloro-2-hydroxyphenyl)methylamino]ethyl]benzonitrile Traditional Name: 4-[1-[(5-chloro-2-hydroxy-benzyl)amino]ethyl]benzonitrile Formula: C16H15ClN2O MolecularWeight: 286.7561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NCC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)NCC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C16H15ClN2O/c1-11(13-4-2-12(9-18)3-5-13)19-10-14-8-15(17)6-7-16(14)20/h2-8,11,19-20H,10H2,1H3