2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanenitrile

Systemtic Name: 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanenitrile Openeye Name: 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile CAS Name: 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile IUPAC Name: 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile Traditional Name: 2-(7-nitro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile Formula: C11H11N3O2 MolecularWeight: 217.22394

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=C1C=CC(=C2)[N+](=O)[O-])CC#N

Isomeric SMILES

C1CNC(C2=C1C=CC(=C2)[N+](=O)[O-])CC#N

InChI

InChI=1S/C11H11N3O2/c12-5-3-11-10-7-9(14(15)16)2-1-8(10)4-6-13-11/h1-2,7,11,13H,3-4,6H2