3-(2,4-dinitro-6-propan-2-yl-phenyl)pentane-2,4-dione

Systemtic Name: 3-(2,4-dinitro-6-propan-2-yl-phenyl)pentane-2,4-dione Openeye Name: 3-(2-isopropyl-4,6-dinitro-phenyl)pentane-2,4-dione CAS Name: 3-(2,4-dinitro-6-propan-2-ylphenyl)pentane-2,4-dione IUPAC Name: 3-(2,4-dinitro-6-propan-2-ylphenyl)pentane-2,4-dione Traditional Name: 3-(2-isopropyl-4,6-dinitro-phenyl)pentane-2,4-dione Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1C(C(=O)C)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=CC(=C1C(C(=O)C)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O6/c1-7(2)11-5-10(15(19)20)6-12(16(21)22)14(11)13(8(3)17)9(4)18/h5-7,13H,1-4H3