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

Systemtic Name: 3-[(5-chloranyl-2-oxidanyl-phenyl)methyl-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[(5-chloro-2-hydroxy-phenyl)methyl-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[(5-chloro-2-hydroxyphenyl)methyl-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[(5-chloro-2-hydroxyphenyl)methyl-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[(5-chloro-2-hydroxy-benzyl)-(2-cyanoethyl)amino]propionitrile Formula: C13H14ClN3O MolecularWeight: 263.72276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O/c14-12-3-4-13(18)11(9-12)10-17(7-1-5-15)8-2-6-16/h3-4,9,18H,1-2,7-8,10H2