4-[3-[(4-bromophenyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[(4-bromophenyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-(4-bromoanilino)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-(4-bromoanilino)-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-(4-bromoanilino)-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-(4-bromoanilino)-2-hydroxy-propoxy]benzonitrile Formula: C16H15BrN2O2 MolecularWeight: 347.2065

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCC(CNC2=CC=C(C=C2)Br)O

Isomeric SMILES

C1=CC(=CC=C1C#N)OCC(CNC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C16H15BrN2O2/c17-13-3-5-14(6-4-13)19-10-15(20)11-21-16-7-1-12(9-18)2-8-16/h1-8,15,19-20H,10-11H2