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

Systemtic Name: 4-[(3-bromanyl-5-nitro-4-oxidanyl-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[(3-bromo-4-hydroxy-5-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-(3-bromo-4-hydroxy-5-nitro-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C16H10BrN3O5 MolecularWeight: 404.1717

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C16H10BrN3O5/c17-12-7-9(8-13(14(12)21)20(24)25)6-11-15(22)18-19(16(11)23)10-4-2-1-3-5-10/h1-8,21H,(H,18,22)