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

Systemtic Name: (2-tert-butyl-3-methyl-4,6-dinitro-phenyl) ethanoate Openeye Name: (2-tert-butyl-3-methyl-4,6-dinitro-phenyl) acetate CAS Name: acetic acid (2-tert-butyl-3-methyl-4,6-dinitrophenyl) ester IUPAC Name: (2-tert-butyl-3-methyl-4,6-dinitrophenyl) acetate Traditional Name: acetic acid (2-tert-butyl-3-methyl-4,6-dinitro-phenyl) ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-7-9(14(17)18)6-10(15(19)20)12(21-8(2)16)11(7)13(3,4)5/h6H,1-5H3