2-[2-(2-nitro-1-benzofuran-3-yl)phenyl]ethanenitrile

Systemtic Name: 2-[2-(2-nitro-1-benzofuran-3-yl)phenyl]ethanenitrile Openeye Name: 2-[2-(2-nitrobenzofuran-3-yl)phenyl]acetonitrile CAS Name: 2-[2-(2-nitro-3-benzofuranyl)phenyl]acetonitrile IUPAC Name: 2-[2-(2-nitro-1-benzofuran-3-yl)phenyl]acetonitrile Traditional Name: 2-[2-(2-nitrobenzofuran-3-yl)phenyl]acetonitrile Formula: C16H10N2O3 MolecularWeight: 278.2622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC#N)C2=C(OC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC#N)C2=C(OC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O3/c17-10-9-11-5-1-2-6-12(11)15-13-7-3-4-8-14(13)21-16(15)18(19)20/h1-8H,9H2