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

Systemtic Name: 4-[[2-[(2-methylpropan-2-yl)oxy]-3-nitro-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(2-tert-butoxy-3-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[2-[(2-methylpropan-2-yl)oxy]-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[2-[(2-methylpropan-2-yl)oxy]-3-nitrophenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(2-tert-butoxy-3-nitro-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=C(C=CC=C1[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC1=C(C=CC=C1[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5/c1-20(2,3)28-17-13(8-7-11-16(17)23(26)27)12-15-18(24)21-22(19(15)25)14-9-5-4-6-10-14/h4-12H,1-3H3,(H,21,24)