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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1C(C(=O)C)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=CC(=C1C(C(=O)C)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-4-5-6-11-7-12(16(20)21)8-13(17(22)23)15(11)14(9(2)18)10(3)19/h7-8,14H,4-6H2,1-3H3