3-[2,3-bis(oxidanyl)propyl-phenyl-amino]propanenitrile

Systemtic Name: 3-[2,3-bis(oxidanyl)propyl-phenyl-amino]propanenitrile Openeye Name: 3-[N-(2,3-dihydroxypropyl)anilino]propanenitrile CAS Name: 3-[N-(2,3-dihydroxypropyl)anilino]propanenitrile IUPAC Name: 3-[N-(2,3-dihydroxypropyl)anilino]propanenitrile Traditional Name: 3-(N-glycerylanilino)propionitrile Formula: C12H16N2O2 MolecularWeight: 220.26764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2/c13-7-4-8-14(9-12(16)10-15)11-5-2-1-3-6-11/h1-3,5-6,12,15-16H,4,8-10H2