5-nitro-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 5-nitro-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-benzyl-5-nitro-3,4-dihydro-1H-isoquinoline CAS Name: 5-nitro-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-benzyl-5-nitro-3,4-dihydro-1H-isoquinoline Traditional Name: 2-benzyl-5-nitro-3,4-dihydro-1H-isoquinoline Formula: C16H16N2O2 MolecularWeight: 268.31044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=C1C(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C16H16N2O2/c19-18(20)16-8-4-7-14-12-17(10-9-15(14)16)11-13-5-2-1-3-6-13/h1-8H,9-12H2