(4S)-5,8-dimethoxy-2-[2-nitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-4-ol

Systemtic Name: (4S)-5,8-dimethoxy-2-[2-nitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-4-ol Openeye Name: (4S)-5,8-dimethoxy-2-[2-nitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-4-ol CAS Name: (4S)-5,8-dimethoxy-2-[2-nitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-4-ol IUPAC Name: (4S)-5,8-dimethoxy-2-[2-nitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-4-ol Traditional Name: (4S)-5,8-dimethoxy-2-[2-nitro-4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-4-ol Formula: C18H17F3N2O5 MolecularWeight: 398.33319

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C2CN(C[C@H](C2=C(C=C1)OC)O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17F3N2O5/c1-27-15-5-6-16(28-2)17-11(15)8-22(9-14(17)24)12-4-3-10(18(19,20)21)7-13(12)23(25)26/h3-7,14,24H,8-9H2,1-2H3/t14-/m1/s1