4-[[3-nitro-4-(5-nitropyridin-2-yl)oxy-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[[3-nitro-4-(5-nitropyridin-2-yl)oxy-phenyl]methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[[3-nitro-4-[(5-nitro-2-pyridyl)oxy]phenyl]methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[[3-nitro-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[[3-nitro-4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[3-nitro-4-[(5-nitro-2-pyridyl)oxy]benzylidene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C21H13N5O7 MolecularWeight: 447.35722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC4=NC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC4=NC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)N2

InChI

InChI=1S/C21H13N5O7/c27-20-16(21(28)24(23-20)14-4-2-1-3-5-14)10-13-6-8-18(17(11-13)26(31)32)33-19-9-7-15(12-22-19)25(29)30/h1-12H,(H,23,27)