3-[(2-oxidanyl-3-oxidanylidene-butyl)-phenyl-amino]propanenitrile

Systemtic Name: 3-[(2-oxidanyl-3-oxidanylidene-butyl)-phenyl-amino]propanenitrile Openeye Name: 3-(N-(2-hydroxy-3-oxo-butyl)anilino)propanenitrile CAS Name: 3-(N-(2-hydroxy-3-oxobutyl)anilino)propanenitrile IUPAC Name: 3-(N-(2-hydroxy-3-oxobutyl)anilino)propanenitrile Traditional Name: 3-(N-(2-hydroxy-3-keto-butyl)anilino)propionitrile Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2/c1-11(16)13(17)10-15(9-5-8-14)12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,9-10H2,1H3