O2-tert-butyl O1-methyl (1R)-6-[(2-chloranyl-5-nitro-phenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-methyl (1R)-6-[(2-chloranyl-5-nitro-phenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-methyl (1R)-6-[(2-chloro-5-nitro-phenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: (1R)-6-[(2-chloro-5-nitrophenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester IUPAC Name: 2-O-tert-butyl 1-O-methyl (1R)-6-[(2-chloro-5-nitrophenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: (1R)-6-(2-chloro-5-nitro-benzyl)oxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester Formula: C23H25ClN2O7 MolecularWeight: 476.9068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)OC)C=CC(=C2)OCC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C([C@@H]1C(=O)OC)C=CC(=C2)OCC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H25ClN2O7/c1-23(2,3)33-22(28)25-10-9-14-12-17(6-7-18(14)20(25)21(27)31-4)32-13-15-11-16(26(29)30)5-8-19(15)24/h5-8,11-12,20H,9-10,13H2,1-4H3/t20-/m1/s1