dimethyl 3-(4-nitrophenyl)carbonyl-5-oxidanylidene-2H-pyrazolo[5,1-a]isoindole-1,2-dicarboxylate

Systemtic Name: dimethyl 3-(4-nitrophenyl)carbonyl-5-oxidanylidene-2H-pyrazolo[5,1-a]isoindole-1,2-dicarboxylate Openeye Name: dimethyl 3-(4-nitrobenzoyl)-5-oxo-2H-pyrazolo[5,1-a]isoindole-1,2-dicarboxylate CAS Name: 3-[(4-nitrophenyl)-oxomethyl]-5-oxo-2H-pyrazolo[5,1-a]isoindole-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(4-nitrobenzoyl)-5-oxo-2H-pyrazolo[5,1-a]isoindole-1,2-dicarboxylate Traditional Name: 5-keto-3-(4-nitrobenzoyl)-2H-pyrazol[5,1-a]isoindole-1,2-dicarboxylic acid dimethyl ester Formula: C21H15N3O8 MolecularWeight: 437.3591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=C2C3=CC=CC=C3C(=O)N2N1C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1C(=C2C3=CC=CC=C3C(=O)N2N1C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H15N3O8/c1-31-20(27)15-16-13-5-3-4-6-14(13)19(26)22(16)23(17(15)21(28)32-2)18(25)11-7-9-12(10-8-11)24(29)30/h3-10,17H,1-2H3