4-[[2-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)-5-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[2-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)-5-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[2-(2-morpholino-2-oxo-ethoxy)-5-nitro-phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[2-[2-(4-morpholinyl)-2-oxoethoxy]-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[2-(2-morpholin-4-yl-2-oxoethoxy)-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[2-(2-keto-2-morpholino-ethoxy)-5-nitro-benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C22H20N4O7 MolecularWeight: 452.4168

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)NN(C3=O)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)NN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O7/c27-20(24-8-10-32-11-9-24)14-33-19-7-6-17(26(30)31)12-15(19)13-18-21(28)23-25(22(18)29)16-4-2-1-3-5-16/h1-7,12-13H,8-11,14H2,(H,23,28)