4-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxidanylidene-butanenitrile

Systemtic Name: 4-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxidanylidene-butanenitrile Openeye Name: 4-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxo-butanenitrile CAS Name: 4-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxobutanenitrile IUPAC Name: 4-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-oxobutanenitrile Traditional Name: 4-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-keto-butyronitrile Formula: C13H12BrNO3 MolecularWeight: 310.14328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)CCC#N)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)CCC#N)Br)OC1

InChI

InChI=1S/C13H12BrNO3/c14-10-7-9(11(16)3-1-4-15)8-12-13(10)18-6-2-5-17-12/h7-8H,1-3,5-6H2