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

Systemtic Name: 2-[2-[(4-chlorophenyl)-oxidanyl-methyl]-1,3-benzoxazol-5-yl]propanenitrile Openeye Name: 2-[2-[(4-chlorophenyl)-hydroxy-methyl]-1,3-benzoxazol-5-yl]propanenitrile CAS Name: 2-[2-[(4-chlorophenyl)-hydroxymethyl]-1,3-benzoxazol-5-yl]propanenitrile IUPAC Name: 2-[2-[(4-chlorophenyl)-hydroxymethyl]-1,3-benzoxazol-5-yl]propanenitrile Traditional Name: 2-[2-[(4-chlorophenyl)-hydroxy-methyl]-1,3-benzoxazol-5-yl]propionitrile Formula: C17H13ClN2O2 MolecularWeight: 312.75032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC2=C(C=C1)OC(=N2)C(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(C#N)C1=CC2=C(C=C1)OC(=N2)C(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C17H13ClN2O2/c1-10(9-19)12-4-7-15-14(8-12)20-17(22-15)16(21)11-2-5-13(18)6-3-11/h2-8,10,16,21H,1H3