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

Systemtic Name: 4-[[3-ethoxy-4-[(2-methylpropan-2-yl)oxy]-5-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(4-tert-butoxy-3-ethoxy-5-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[3-ethoxy-4-[(2-methylpropan-2-yl)oxy]-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[3-ethoxy-4-[(2-methylpropan-2-yl)oxy]-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(4-tert-butoxy-3-ethoxy-5-nitro-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OC(C)(C)C)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OC(C)(C)C)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O6/c1-5-30-18-13-14(12-17(25(28)29)19(18)31-22(2,3)4)11-16-20(26)23-24(21(16)27)15-9-7-6-8-10-15/h6-13H,5H2,1-4H3,(H,23,26)