2-[1-(4-nitrophenyl)-3,4-dihydroisoquinolin-5-yl]ethanenitrile

Systemtic Name: 2-[1-(4-nitrophenyl)-3,4-dihydroisoquinolin-5-yl]ethanenitrile Openeye Name: 2-[1-(4-nitrophenyl)-3,4-dihydroisoquinolin-5-yl]acetonitrile CAS Name: 2-[1-(4-nitrophenyl)-3,4-dihydroisoquinolin-5-yl]acetonitrile IUPAC Name: 2-[1-(4-nitrophenyl)-3,4-dihydroisoquinolin-5-yl]acetonitrile Traditional Name: 2-[1-(4-nitrophenyl)-3,4-dihydroisoquinolin-5-yl]acetonitrile Formula: C17H13N3O2 MolecularWeight: 291.30402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=C1C(=CC=C2)CC#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN=C(C2=C1C(=CC=C2)CC#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O2/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/h1-7H,8-9,11H2