3-[[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]methyl]benzonitrile CAS Name: 3-[[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]methyl]benzonitrile IUPAC Name: 3-[[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]methyl]benzonitrile Traditional Name: 3-[[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]methyl]benzonitrile Formula: C16H13BrN2O2 MolecularWeight: 345.19062

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NCC3=CC=CC(=C3)C#N

InChI

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