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

Systemtic Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-nitro-phenol Openeye Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-nitro-phenol CAS Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-nitrophenol IUPAC Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-nitrophenol Traditional Name: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-nitro-phenol Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC3=CC(=C(C=C3)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC3=CC(=C(C=C3)O)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O5/c1-24-17-8-13-5-6-19(11-14(13)9-18(17)25-2)10-12-3-4-16(21)15(7-12)20(22)23/h3-4,7-9,21H,5-6,10-11H2,1-2H3