3-[2-(2-methylpropyl)-4,6-dinitro-phenyl]pentane-2,4-dione

Systemtic Name: 3-[2-(2-methylpropyl)-4,6-dinitro-phenyl]pentane-2,4-dione Openeye Name: 3-(2-isobutyl-4,6-dinitro-phenyl)pentane-2,4-dione CAS Name: 3-[2-(2-methylpropyl)-4,6-dinitrophenyl]pentane-2,4-dione IUPAC Name: 3-[2-(2-methylpropyl)-4,6-dinitrophenyl]pentane-2,4-dione Traditional Name: 3-(2-isobutyl-4,6-dinitro-phenyl)pentane-2,4-dione Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=CC(=C1C(C(=O)C)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC(=CC(=C1C(C(=O)C)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-8(2)5-11-6-12(16(20)21)7-13(17(22)23)15(11)14(9(3)18)10(4)19/h6-8,14H,5H2,1-4H3