2-[[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-nitro-phenol

Systemtic Name: 2-[[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-nitro-phenol Openeye Name: 2-[[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-nitro-phenol CAS Name: 2-[[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-nitrophenol IUPAC Name: 2-[[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-nitrophenol Traditional Name: 2-[[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-nitro-phenol Formula: C24H23ClN2O5 MolecularWeight: 454.90282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC3=C(C=CC(=C3)[N+](=O)[O-])O)C4=CC(=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CC3=C(C=CC(=C3)[N+](=O)[O-])O)C4=CC(=CC=C4)Cl)OC

InChI

InChI=1S/C24H23ClN2O5/c1-31-22-12-15-8-9-26(14-17-11-19(27(29)30)6-7-21(17)28)24(20(15)13-23(22)32-2)16-4-3-5-18(25)10-16/h3-7,10-13,24,28H,8-9,14H2,1-2H3