3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylamino]benzenecarbonitrile

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylamino]benzenecarbonitrile Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]benzonitrile CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]benzonitrile IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]benzonitrile Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]benzonitrile Formula: C15H11BrN2O2 MolecularWeight: 331.16404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN2O2/c16-13-6-15-14(19-9-20-15)5-11(13)8-18-12-3-1-2-10(4-12)7-17/h1-6,18H,8-9H2