dimethyl (9bS)-5-oxidanylidene-3-phenyl-9bH-pyrazolo[5,1-a]isoindole-1,2-dicarboxylate

Systemtic Name: dimethyl (9bS)-5-oxidanylidene-3-phenyl-9bH-pyrazolo[5,1-a]isoindole-1,2-dicarboxylate Openeye Name: dimethyl (9bS)-5-oxo-3-phenyl-9bH-pyrazolo[5,1-a]isoindole-1,2-dicarboxylate CAS Name: (9bS)-5-oxo-3-phenyl-9bH-pyrazolo[5,1-a]isoindole-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (9bS)-5-oxo-3-phenyl-9bH-pyrazolo[5,1-a]isoindole-1,2-dicarboxylate Traditional Name: (9bS)-5-keto-3-phenyl-9bH-pyrazol[5,1-a]isoindole-1,2-dicarboxylic acid dimethyl ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N2C1C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N2[C@H]1C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C20H16N2O5/c1-26-19(24)15-16-13-10-6-7-11-14(13)18(23)22(16)21(17(15)20(25)27-2)12-8-4-3-5-9-12/h3-11,16H,1-2H3/t16-/m0/s1