1-(4-tert-butyl-2,4-dimethyl-3,5-dinitro-cyclohexa-2,5-dien-1-yl)ethanone

Systemtic Name: 1-(4-tert-butyl-2,4-dimethyl-3,5-dinitro-cyclohexa-2,5-dien-1-yl)ethanone Openeye Name: 1-(4-tert-butyl-2,4-dimethyl-3,5-dinitro-cyclohexa-2,5-dien-1-yl)ethanone CAS Name: 1-(4-tert-butyl-2,4-dimethyl-3,5-dinitro-1-cyclohexa-2,5-dienyl)ethanone IUPAC Name: 1-(4-tert-butyl-2,4-dimethyl-3,5-dinitrocyclohexa-2,5-dien-1-yl)ethanone Traditional Name: 1-(4-tert-butyl-2,4-dimethyl-3,5-dinitro-cyclohexa-2,5-dien-1-yl)ethanone Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=CC1C(=O)C)[N+](=O)[O-])(C)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=CC1C(=O)C)[N+](=O)[O-])(C)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O5/c1-8-10(9(2)17)7-11(15(18)19)14(6,13(3,4)5)12(8)16(20)21/h7,10H,1-6H3