2-[4-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]ethanenitrile

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]ethanenitrile Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]acetonitrile CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-2-methylphenyl]acetonitrile IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)-2-methylphenyl]acetonitrile Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]acetonitrile Formula: C16H12N2O MolecularWeight: 248.27928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)CC#N

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)CC#N

InChI

InChI=1S/C16H12N2O/c1-11-10-13(7-6-12(11)8-9-17)16-18-14-4-2-3-5-15(14)19-16/h2-7,10H,8H2,1H3