[(2R)-3-ethoxy-2-methyl-3-oxidanylidene-propyl] 3,5-dinitrobenzoate

Systemtic Name: [(2R)-3-ethoxy-2-methyl-3-oxidanylidene-propyl] 3,5-dinitrobenzoate Openeye Name: [(2R)-3-ethoxy-2-methyl-3-oxo-propyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2R)-3-ethoxy-2-methyl-3-oxopropyl] ester IUPAC Name: [(2R)-3-ethoxy-2-methyl-3-oxopropyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(2R)-3-ethoxy-3-keto-2-methyl-propyl] ester Formula: C13H14N2O8 MolecularWeight: 326.25886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](C)COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O8/c1-3-22-12(16)8(2)7-23-13(17)9-4-10(14(18)19)6-11(5-9)15(20)21/h4-6,8H,3,7H2,1-2H3/t8-/m1/s1