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

Systemtic Name: methyl 2-(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzoate Openeye Name: methyl 2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzoate CAS Name: 2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrobenzoate Traditional Name: 2-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzoic acid methyl ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7/c1-26-16-6-7-17(27-2)18-13(16)9-20(10-15(18)22)14-5-4-11(21(24)25)8-12(14)19(23)28-3/h4-8,15,22H,9-10H2,1-3H3