(4S)-5,8-dimethoxy-2-(3-nitropyridin-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol

Systemtic Name: (4S)-5,8-dimethoxy-2-(3-nitropyridin-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol Openeye Name: (4S)-5,8-dimethoxy-2-(3-nitro-2-pyridyl)-3,4-dihydro-1H-isoquinolin-4-ol CAS Name: (4S)-5,8-dimethoxy-2-(3-nitro-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-4-ol IUPAC Name: (4S)-5,8-dimethoxy-2-(3-nitropyridin-2-yl)-3,4-dihydro-1H-isoquinolin-4-ol Traditional Name: (4S)-5,8-dimethoxy-2-(3-nitro-2-pyridyl)-3,4-dihydro-1H-isoquinolin-4-ol Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C2CN(C[C@H](C2=C(C=C1)OC)O)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-23-13-5-6-14(24-2)15-10(13)8-18(9-12(15)20)16-11(19(21)22)4-3-7-17-16/h3-7,12,20H,8-9H2,1-2H3/t12-/m1/s1