6,7-dimethoxy-2-[4-nitro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-[4-nitro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[4-nitro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[4-nitro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[4-nitro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-[4-nitro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline Formula: C18H17F3N2O4 MolecularWeight: 382.33379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)OC

InChI

InChI=1S/C18H17F3N2O4/c1-26-16-7-11-5-6-22(10-12(11)8-17(16)27-2)13-3-4-15(23(24)25)14(9-13)18(19,20)21/h3-4,7-9H,5-6,10H2,1-2H3