2-(4-methyl-3-phenyl-2,1-benzoxazol-6-yl)ethanenitrile

Systemtic Name: 2-(4-methyl-3-phenyl-2,1-benzoxazol-6-yl)ethanenitrile Openeye Name: 2-(4-methyl-3-phenyl-2,1-benzoxazol-6-yl)acetonitrile CAS Name: 2-(4-methyl-3-phenyl-2,1-benzoxazol-6-yl)acetonitrile IUPAC Name: 2-(4-methyl-3-phenyl-2,1-benzoxazol-6-yl)acetonitrile Traditional Name: 2-(4-methyl-3-phenyl-anthranil-6-yl)acetonitrile Formula: C16H12N2O MolecularWeight: 248.27928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=NOC(=C12)C3=CC=CC=C3)CC#N

Isomeric SMILES

CC1=CC(=CC2=NOC(=C12)C3=CC=CC=C3)CC#N

InChI

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