2-[4-[(7-bromanyl-1,3-benzodioxol-5-yl)methylamino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(7-bromanyl-1,3-benzodioxol-5-yl)methylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]phenyl]acetonitrile CAS Name: 2-[4-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]phenyl]acetonitrile Traditional Name: 2-[4-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]phenyl]acetonitrile Formula: C16H13BrN2O2 MolecularWeight: 345.19062

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CNC3=CC=C(C=C3)CC#N)Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CNC3=CC=C(C=C3)CC#N)Br

InChI

InChI=1S/C16H13BrN2O2/c17-14-7-12(8-15-16(14)21-10-20-15)9-19-13-3-1-11(2-4-13)5-6-18/h1-4,7-8,19H,5,9-10H2