2-[1-(4-nitrophenyl)isoquinolin-5-yl]ethanenitrile

Systemtic Name: 2-[1-(4-nitrophenyl)isoquinolin-5-yl]ethanenitrile Openeye Name: 2-[1-(4-nitrophenyl)-5-isoquinolyl]acetonitrile CAS Name: 2-[1-(4-nitrophenyl)-5-isoquinolinyl]acetonitrile IUPAC Name: 2-[1-(4-nitrophenyl)isoquinolin-5-yl]acetonitrile Traditional Name: 2-[1-(4-nitrophenyl)-5-isoquinolyl]acetonitrile Formula: C17H11N3O2 MolecularWeight: 289.28814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C3=CC=C(C=C3)[N+](=O)[O-])C(=C1)CC#N

Isomeric SMILES

C1=CC2=C(C=CN=C2C3=CC=C(C=C3)[N+](=O)[O-])C(=C1)CC#N

InChI

InChI=1S/C17H11N3O2/c18-10-8-12-2-1-3-16-15(12)9-11-19-17(16)13-4-6-14(7-5-13)20(21)22/h1-7,9,11H,8H2