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

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)-2-bromanyl-phenyl]ethanenitrile Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)-2-bromo-phenyl]acetonitrile CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-2-bromophenyl]acetonitrile IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)-2-bromophenyl]acetonitrile Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)-2-bromo-phenyl]acetonitrile Formula: C15H9BrN2O MolecularWeight: 313.14876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)CC#N)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)CC#N)Br

InChI

InChI=1S/C15H9BrN2O/c16-12-9-11(6-5-10(12)7-8-17)15-18-13-3-1-2-4-14(13)19-15/h1-6,9H,7H2