1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)ethanone

Systemtic Name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)ethanone Openeye Name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)ethanone CAS Name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone IUPAC Name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone Traditional Name: 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)ethanone Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C

InChI

InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3