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

Systemtic Name: methyl 4-[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitro-benzoate Openeye Name: methyl 4-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitro-benzoate CAS Name: 4-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitrobenzoate Traditional Name: 4-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-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)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7/c1-26-16-6-7-17(27-2)18-12(16)9-20(10-15(18)22)13-5-4-11(19(23)28-3)8-14(13)21(24)25/h4-8,15,22H,9-10H2,1-3H3/t15-/m0/s1