O3-methyl O2-(phenylmethyl) (3R)-7-nitro-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O3-methyl O2-(phenylmethyl) (3R)-7-nitro-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O2-benzyl O3-methyl (3R)-7-nitro-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: (3R)-7-nitro-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O3-methyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 3-O-methyl (3R)-7-nitro-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: (3R)-7-nitro-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O2-benzyl ester O3-methyl ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1C(=O)OCC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1CC2=C(CN1C(=O)OCC3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O6/c1-26-18(22)17-10-14-7-8-16(21(24)25)9-15(14)11-20(17)19(23)27-12-13-5-3-2-4-6-13/h2-9,17H,10-12H2,1H3/t17-/m1/s1