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

Systemtic Name: 4-[(5-bromanyl-2-butan-2-yloxy-3-nitro-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(5-bromo-3-nitro-2-sec-butoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(5-bromo-2-butan-2-yloxy-3-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(5-bromo-2-butan-2-yloxy-3-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(5-bromo-3-nitro-2-sec-butoxy-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C20H18BrN3O5 MolecularWeight: 460.27802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H18BrN3O5/c1-3-12(2)29-18-13(9-14(21)11-17(18)24(27)28)10-16-19(25)22-23(20(16)26)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,22,25)