dimethyl (3aS,8bR)-4-oxidanylidene-1-phenyl-8bH-indeno[1,2-c]pyrazole-3,3a-dicarboxylate

Systemtic Name: dimethyl (3aS,8bR)-4-oxidanylidene-1-phenyl-8bH-indeno[1,2-c]pyrazole-3,3a-dicarboxylate Openeye Name: dimethyl (3aS,8bR)-4-oxo-1-phenyl-8bH-indeno[1,2-c]pyrazole-3,3a-dicarboxylate CAS Name: (3aS,8bR)-4-oxo-1-phenyl-8bH-indeno[1,2-c]pyrazole-3,3a-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3aS,8bR)-4-oxo-1-phenyl-8bH-indeno[1,2-c]pyrazole-3,3a-dicarboxylate Traditional Name: (3aS,8bR)-4-keto-1-phenyl-8bH-indeno[1,2-c]pyrazole-3,3a-dicarboxylic acid dimethyl ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C2C1(C(=O)C3=CC=CC=C23)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=NN([C@H]2[C@]1(C(=O)C3=CC=CC=C23)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C20H16N2O5/c1-26-18(24)15-20(19(25)27-2)16(13-10-6-7-11-14(13)17(20)23)22(21-15)12-8-4-3-5-9-12/h3-11,16H,1-2H3/t16-,20-/m1/s1