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

Systemtic Name: (4E)-4-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: (4E)-4-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: (4E)-4-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: (4E)-4-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: (4E)-4-(2-hydroxy-3-methoxy-5-nitro-benzylidene)-1-phenyl-pyrazolidine-3,5-quinone Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NN(C2=O)C3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C17H13N3O6/c1-26-14-9-12(20(24)25)7-10(15(14)21)8-13-16(22)18-19(17(13)23)11-5-3-2-4-6-11/h2-9,21H,1H3,(H,18,22)/b13-8+