3-[2-cyanoethyl-[[3-ethanoyl-2,6-bis(oxidanyl)phenyl]methyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[[3-ethanoyl-2,6-bis(oxidanyl)phenyl]methyl]amino]propanenitrile Openeye Name: 3-[(3-acetyl-2,6-dihydroxy-phenyl)methyl-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[(3-acetyl-2,6-dihydroxyphenyl)methyl-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[(3-acetyl-2,6-dihydroxyphenyl)methyl-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[(3-acetyl-2,6-dihydroxy-benzyl)-(2-cyanoethyl)amino]propionitrile Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3/c1-11(19)12-4-5-14(20)13(15(12)21)10-18(8-2-6-16)9-3-7-17/h4-5,20-21H,2-3,8-10H2,1H3