1-(4,5-dimethoxy-2-nitro-phenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-(4,5-dimethoxy-2-nitro-phenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-(4,5-dimethoxy-2-nitro-phenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(4,5-dimethoxy-2-nitrophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(4,5-dimethoxy-2-nitrophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-(4,5-dimethoxy-2-nitro-phenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline Formula: C20H24N2O6 MolecularWeight: 388.41436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CCNC(C2=C1)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CCOC1=C(C=C2CCNC(C2=C1)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C20H24N2O6/c1-5-28-19-9-13-12(8-16(19)25-2)6-7-21-20(13)14-10-17(26-3)18(27-4)11-15(14)22(23)24/h8-11,20-21H,5-7H2,1-4H3