4-[(3,4-diethoxy-5-nitro-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[(3,4-diethoxy-5-nitro-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(3,4-diethoxy-5-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(3,4-diethoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(3,4-diethoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3,4-diethoxy-5-nitro-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O6/c1-3-28-17-12-13(11-16(23(26)27)18(17)29-4-2)10-15-19(24)21-22(20(15)25)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3,(H,21,24)