1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline hydrochloride

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline hydrochloride Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline hydrochloride CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline hydrochloride IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline hydrochloride Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline hydrochloride Formula: C21H25ClN2O7 MolecularWeight: 452.8854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCN=C2CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC)OC.Cl

Isomeric SMILES

COC1=C(C(=C2C(=C1)CCN=C2CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC)OC.Cl

InChI

InChI=1S/C21H24N2O7.ClH/c1-26-16-10-13(15(23(24)25)11-17(16)27-2)8-14-19-12(6-7-22-14)9-18(28-3)20(29-4)21(19)30-5;/h9-11H,6-8H2,1-5H3;1H