methyl 4-tert-butyl-3,5-dinitro-benzoate

Systemtic Name: methyl 4-tert-butyl-3,5-dinitro-benzoate Openeye Name: methyl 4-tert-butyl-3,5-dinitro-benzoate CAS Name: 4-tert-butyl-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-tert-butyl-3,5-dinitrobenzoate Traditional Name: 4-tert-butyl-3,5-dinitro-benzoic acid methyl ester Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-12(2,3)10-8(13(16)17)5-7(11(15)20-4)6-9(10)14(18)19/h5-6H,1-4H3