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

Systemtic Name: 4-[[3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(4-tert-butoxy-3-methoxy-5-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[3-methoxy-4-[(2-methylpropan-2-yl)oxy]-5-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(4-tert-butoxy-3-methoxy-5-nitro-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=C(C=C(C=C1OC)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=C(C=C(C=C1OC)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-21(2,3)30-18-16(24(27)28)11-13(12-17(18)29-4)10-15-19(25)22-23(20(15)26)14-8-6-5-7-9-14/h5-12H,1-4H3,(H,22,25)