3-[[1-(4-bromophenyl)-1-oxidanyl-ethyl]-(2-cyanoethyl)phosphoryl]propanenitrile

Systemtic Name: 3-[[1-(4-bromophenyl)-1-oxidanyl-ethyl]-(2-cyanoethyl)phosphoryl]propanenitrile Openeye Name: 3-[[1-(4-bromophenyl)-1-hydroxy-ethyl]-(2-cyanoethyl)phosphoryl]propanenitrile CAS Name: 3-[[1-(4-bromophenyl)-1-hydroxyethyl]-(2-cyanoethyl)phosphoryl]propanenitrile IUPAC Name: 3-[[1-(4-bromophenyl)-1-hydroxyethyl]-(2-cyanoethyl)phosphoryl]propanenitrile Traditional Name: 3-[[1-(4-bromophenyl)-1-hydroxy-ethyl]-(2-cyanoethyl)phosphoryl]propionitrile Formula: C14H16BrN2O2P MolecularWeight: 355.166801

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)(O)P(=O)(CCC#N)CCC#N

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)(O)P(=O)(CCC#N)CCC#N

InChI

InChI=1S/C14H16BrN2O2P/c1-14(18,12-4-6-13(15)7-5-12)20(19,10-2-8-16)11-3-9-17/h4-7,18H,2-3,10-11H2,1H3