3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanenitrile

Systemtic Name: 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanenitrile Openeye Name: 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanenitrile CAS Name: 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanenitrile IUPAC Name: 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanenitrile Traditional Name: 3-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propionitrile Formula: C16H11ClN2O MolecularWeight: 282.72434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)CCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)CCC#N)Cl

InChI

InChI=1S/C16H11ClN2O/c17-13-6-4-12(5-7-13)16-19-14-10-11(2-1-9-18)3-8-15(14)20-16/h3-8,10H,1-2H2