4-[(4S)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitro-benzoate

Systemtic Name: 4-[(4S)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitro-benzoate Openeye Name: 4-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitro-benzoate CAS Name: 4-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitrobenzoate IUPAC Name: 4-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitrobenzoate Traditional Name: 4-[(4S)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitro-benzoate Formula: C18H17N2O7- MolecularWeight: 373.33678

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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(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7/c1-26-15-5-6-16(27-2)17-11(15)8-19(9-14(17)21)12-4-3-10(18(22)23)7-13(12)20(24)25/h3-7,14,21H,8-9H2,1-2H3,(H,22,23)/p-1/t14-/m1/s1