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

Systemtic Name: 2-(6-tert-butyl-3-methyl-2,4-dinitro-phenyl)ethanoate Openeye Name: 2-(6-tert-butyl-3-methyl-2,4-dinitro-phenyl)acetate CAS Name: 2-(6-tert-butyl-3-methyl-2,4-dinitrophenyl)acetate IUPAC Name: 2-(6-tert-butyl-3-methyl-2,4-dinitrophenyl)acetate Traditional Name: 2-(6-tert-butyl-3-methyl-2,4-dinitro-phenyl)acetate Formula: C13H15N2O6- MolecularWeight: 295.268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-7-10(14(18)19)6-9(13(2,3)4)8(5-11(16)17)12(7)15(20)21/h6H,5H2,1-4H3,(H,16,17)/p-1