4-(2,2-dimethylpropyl)-3,5-dinitro-benzoate

Systemtic Name: 4-(2,2-dimethylpropyl)-3,5-dinitro-benzoate Openeye Name: 4-(2,2-dimethylpropyl)-3,5-dinitro-benzoate CAS Name: 4-(2,2-dimethylpropyl)-3,5-dinitrobenzoate IUPAC Name: 4-(2,2-dimethylpropyl)-3,5-dinitrobenzoate Traditional Name: 4-neopentyl-3,5-dinitro-benzoate Formula: C12H13N2O6- MolecularWeight: 281.24142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-12(2,3)6-8-9(13(17)18)4-7(11(15)16)5-10(8)14(19)20/h4-5H,6H2,1-3H3,(H,15,16)/p-1