2-[3-(4-bromophenyl)-5-methyl-2,1-benzoxazol-7-yl]ethanenitrile

Systemtic Name: 2-[3-(4-bromophenyl)-5-methyl-2,1-benzoxazol-7-yl]ethanenitrile Openeye Name: 2-[3-(4-bromophenyl)-5-methyl-2,1-benzoxazol-7-yl]acetonitrile CAS Name: 2-[3-(4-bromophenyl)-5-methyl-2,1-benzoxazol-7-yl]acetonitrile IUPAC Name: 2-[3-(4-bromophenyl)-5-methyl-2,1-benzoxazol-7-yl]acetonitrile Traditional Name: 2-[3-(4-bromophenyl)-5-methyl-anthranil-7-yl]acetonitrile Formula: C16H11BrN2O MolecularWeight: 327.17534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(ON=C2C(=C1)CC#N)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC2=C(ON=C2C(=C1)CC#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H11BrN2O/c1-10-8-12(6-7-18)15-14(9-10)16(20-19-15)11-2-4-13(17)5-3-11/h2-5,8-9H,6H2,1H3