3-[(5-azanyl-2-oxidanyl-phenyl)methyl-phenyl-amino]propanenitrile

Systemtic Name: 3-[(5-azanyl-2-oxidanyl-phenyl)methyl-phenyl-amino]propanenitrile Openeye Name: 3-[N-[(5-amino-2-hydroxy-phenyl)methyl]anilino]propanenitrile CAS Name: 3-[N-[(5-amino-2-hydroxyphenyl)methyl]anilino]propanenitrile IUPAC Name: 3-[N-[(5-amino-2-hydroxyphenyl)methyl]anilino]propanenitrile Traditional Name: 3-(N-(5-amino-2-hydroxy-benzyl)anilino)propionitrile Formula: C16H17N3O MolecularWeight: 267.32568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)CC2=C(C=CC(=C2)N)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)CC2=C(C=CC(=C2)N)O

InChI

InChI=1S/C16H17N3O/c17-9-4-10-19(15-5-2-1-3-6-15)12-13-11-14(18)7-8-16(13)20/h1-3,5-8,11,20H,4,10,12,18H2