2-[3-(4-iodophenyl)-2,1-benzoxazol-7-yl]ethanenitrile

Systemtic Name: 2-[3-(4-iodophenyl)-2,1-benzoxazol-7-yl]ethanenitrile Openeye Name: 2-[3-(4-iodophenyl)-2,1-benzoxazol-7-yl]acetonitrile CAS Name: 2-[3-(4-iodophenyl)-2,1-benzoxazol-7-yl]acetonitrile IUPAC Name: 2-[3-(4-iodophenyl)-2,1-benzoxazol-7-yl]acetonitrile Traditional Name: 2-[3-(4-iodophenyl)anthranil-7-yl]acetonitrile Formula: C15H9IN2O MolecularWeight: 360.14923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9IN2O/c16-12-6-4-11(5-7-12)15-13-3-1-2-10(8-9-17)14(13)18-19-15/h1-7H,8H2