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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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