1-[2,4-dinitro-5-(2-oxidanylidenepropanoyl)phenyl]propane-1,2-dione

Systemtic Name: 1-[2,4-dinitro-5-(2-oxidanylidenepropanoyl)phenyl]propane-1,2-dione Openeye Name: 1-[2,4-dinitro-5-(2-oxopropanoyl)phenyl]propane-1,2-dione CAS Name: 1-[5-(1,2-dioxopropyl)-2,4-dinitrophenyl]propane-1,2-dione IUPAC Name: 1-[2,4-dinitro-5-(2-oxopropanoyl)phenyl]propane-1,2-dione Traditional Name: 1-(2,4-dinitro-5-pyruvoyl-phenyl)propane-1,2-dione Formula: C12H8N2O8 MolecularWeight: 308.20052

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)C(=O)C

Isomeric SMILES

CC(=O)C(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)C(=O)C

InChI

InChI=1S/C12H8N2O8/c1-5(15)11(17)7-3-8(12(18)6(2)16)10(14(21)22)4-9(7)13(19)20/h3-4H,1-2H3