(1-methoxy-2-methyl-2-oxidanyl-propyl) 3,5-dinitrobenzoate

Systemtic Name: (1-methoxy-2-methyl-2-oxidanyl-propyl) 3,5-dinitrobenzoate Openeye Name: (2-hydroxy-1-methoxy-2-methyl-propyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-hydroxy-1-methoxy-2-methylpropyl) ester IUPAC Name: (2-hydroxy-1-methoxy-2-methylpropyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-hydroxy-1-methoxy-2-methyl-propyl) ester Formula: C12H14N2O8 MolecularWeight: 314.24816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O8/c1-12(2,16)11(21-3)22-10(15)7-4-8(13(17)18)6-9(5-7)14(19)20/h4-6,11,16H,1-3H3