4-[(2-butan-2-yloxy-3-nitro-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5/c1-3-13(2)28-18-14(8-7-11-17(18)23(26)27)12-16-19(24)21-22(20(16)25)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H,21,24)