3-(4-methyl-5-oxidanylidene-2-phenyl-1,3-oxazol-4-yl)propanenitrile

Systemtic Name: 3-(4-methyl-5-oxidanylidene-2-phenyl-1,3-oxazol-4-yl)propanenitrile Openeye Name: 3-(4-methyl-5-oxo-2-phenyl-oxazol-4-yl)propanenitrile CAS Name: 3-(4-methyl-5-oxo-2-phenyl-4-oxazolyl)propanenitrile IUPAC Name: 3-(4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl)propanenitrile Traditional Name: 3-(5-keto-4-methyl-2-phenyl-2-oxazolin-4-yl)propionitrile Formula: C13H12N2O2 MolecularWeight: 228.24658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)OC(=N1)C2=CC=CC=C2)CCC#N

Isomeric SMILES

CC1(C(=O)OC(=N1)C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C13H12N2O2/c1-13(8-5-9-14)12(16)17-11(15-13)10-6-3-2-4-7-10/h2-4,6-7H,5,8H2,1H3