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

Systemtic Name: 3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanenitrile Openeye Name: 3-(3-methyl-5-phenyl-isoxazol-4-yl)propanenitrile CAS Name: 3-(3-methyl-5-phenyl-4-isoxazolyl)propanenitrile IUPAC Name: 3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)propanenitrile Traditional Name: 3-(3-methyl-5-phenyl-isoxazol-4-yl)propionitrile Formula: C13H12N2O MolecularWeight: 212.24718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=NOC(=C1CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O/c1-10-12(8-5-9-14)13(16-15-10)11-6-3-2-4-7-11/h2-4,6-7H,5,8H2,1H3