(2-tert-butyl-5-methyl-4-nitro-phenyl) 2-nitroethanoate

Systemtic Name: (2-tert-butyl-5-methyl-4-nitro-phenyl) 2-nitroethanoate Openeye Name: (2-tert-butyl-5-methyl-4-nitro-phenyl) 2-nitroacetate CAS Name: 2-nitroacetic acid (2-tert-butyl-5-methyl-4-nitrophenyl) ester IUPAC Name: (2-tert-butyl-5-methyl-4-nitrophenyl) 2-nitroacetate Traditional Name: 2-nitroacetic acid (2-tert-butyl-5-methyl-4-nitro-phenyl) ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-8-5-11(21-12(16)7-14(17)18)9(13(2,3)4)6-10(8)15(19)20/h5-6H,7H2,1-4H3