1-(4-tert-butyl-2-methyl-3,6-dinitro-phenyl)ethanone

Systemtic Name: 1-(4-tert-butyl-2-methyl-3,6-dinitro-phenyl)ethanone Openeye Name: 1-(4-tert-butyl-2-methyl-3,6-dinitro-phenyl)ethanone CAS Name: 1-(4-tert-butyl-2-methyl-3,6-dinitrophenyl)ethanone IUPAC Name: 1-(4-tert-butyl-2-methyl-3,6-dinitrophenyl)ethanone Traditional Name: 1-(4-tert-butyl-2-methyl-3,6-dinitro-phenyl)ethanone Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-7-11(8(2)16)10(14(17)18)6-9(13(3,4)5)12(7)15(19)20/h6H,1-5H3