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

Systemtic Name: 1-(4,5-dimethoxy-2-nitro-phenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-(4,5-dimethoxy-2-nitro-phenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-(4,5-dimethoxy-2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-(4,5-dimethoxy-2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-(4,5-dimethoxy-2-nitro-phenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2C3=CC(=C(C=C3CCN2)O)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2C3=CC(=C(C=C3CCN2)O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18N2O6/c1-24-15-7-11(12(19(22)23)8-16(15)25-2)17-10-6-14(21)13(20)5-9(10)3-4-18-17/h5-8,17-18,20-21H,3-4H2,1-2H3