1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)CCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)CCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C21H26N2O6/c1-26-18-9-13-7-8-22-16(15(13)11-20(18)28-3)6-5-14-10-19(27-2)21(29-4)12-17(14)23(24)25/h9-12,16,22H,5-8H2,1-4H3