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

Systemtic Name: 4-[(5-bromanyl-3-nitro-2-prop-2-enoxy-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(2-allyloxy-5-bromo-3-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(5-bromo-3-nitro-2-prop-2-enoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(5-bromo-3-nitro-2-prop-2-enoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(2-allyloxy-5-bromo-3-nitro-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C19H14BrN3O5 MolecularWeight: 444.23556

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C=CCOC1=C(C=C(C=C1C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H14BrN3O5/c1-2-8-28-17-12(9-13(20)11-16(17)23(26)27)10-15-18(24)21-22(19(15)25)14-6-4-3-5-7-14/h2-7,9-11H,1,8H2,(H,21,24)