2-(7-bromanyl-2-nitro-3-phenyl-1-benzofuran-5-yl)ethanenitrile

Systemtic Name: 2-(7-bromanyl-2-nitro-3-phenyl-1-benzofuran-5-yl)ethanenitrile Openeye Name: 2-(7-bromo-2-nitro-3-phenyl-benzofuran-5-yl)acetonitrile CAS Name: 2-(7-bromo-2-nitro-3-phenyl-5-benzofuranyl)acetonitrile IUPAC Name: 2-(7-bromo-2-nitro-3-phenyl-1-benzofuran-5-yl)acetonitrile Traditional Name: 2-(7-bromo-2-nitro-3-phenyl-benzofuran-5-yl)acetonitrile Formula: C16H9BrN2O3 MolecularWeight: 357.15826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC3=C(C=C(C=C23)CC#N)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC3=C(C=C(C=C23)CC#N)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H9BrN2O3/c17-13-9-10(6-7-18)8-12-14(11-4-2-1-3-5-11)16(19(20)21)22-15(12)13/h1-5,8-9H,6H2