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

Systemtic Name: 4-[(3-ethoxy-5-nitro-4-propan-2-yloxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(3-ethoxy-4-isopropoxy-5-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(3-ethoxy-5-nitro-4-propan-2-yloxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(3-ethoxy-5-nitro-4-propan-2-yloxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-ethoxy-4-isopropoxy-5-nitro-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-4-29-18-12-14(11-17(24(27)28)19(18)30-13(2)3)10-16-20(25)22-23(21(16)26)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H,22,25)