(1,1-dimethoxy-2-methyl-propan-2-yl) 3,5-dinitrobenzoate

Systemtic Name: (1,1-dimethoxy-2-methyl-propan-2-yl) 3,5-dinitrobenzoate Openeye Name: (2,2-dimethoxy-1,1-dimethyl-ethyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (1,1-dimethoxy-2-methylpropan-2-yl) ester IUPAC Name: (1,1-dimethoxy-2-methylpropan-2-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2,2-dimethoxy-1,1-dimethyl-ethyl) ester Formula: C13H16N2O8 MolecularWeight: 328.27474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O8/c1-13(2,12(21-3)22-4)23-11(16)8-5-9(14(17)18)7-10(6-8)15(19)20/h5-7,12H,1-4H3