3-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methyl-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methyl-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[(3,5-dichloro-2-hydroxy-phenyl)methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-(3,5-dichloro-2-hydroxy-benzyl)amino]propionitrile Formula: C13H13Cl2N3O MolecularWeight: 298.16782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)O)CN(CCC#N)CCC#N)Cl

Isomeric SMILES

C1=C(C=C(C(=C1Cl)O)CN(CCC#N)CCC#N)Cl

InChI

InChI=1S/C13H13Cl2N3O/c14-11-7-10(13(19)12(15)8-11)9-18(5-1-3-16)6-2-4-17/h7-8,19H,1-2,5-6,9H2