[(2R,3S)-5-ethoxy-3-methyl-5-oxidanylidene-pentan-2-yl] 3,5-dinitrobenzoate

Systemtic Name: [(2R,3S)-5-ethoxy-3-methyl-5-oxidanylidene-pentan-2-yl] 3,5-dinitrobenzoate Openeye Name: [(1R,2S)-4-ethoxy-1,2-dimethyl-4-oxo-butyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2R,3S)-5-ethoxy-3-methyl-5-oxopentan-2-yl] ester IUPAC Name: [(2R,3S)-5-ethoxy-3-methyl-5-oxopentan-2-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,2S)-4-ethoxy-4-keto-1,2-dimethyl-butyl] ester Formula: C15H18N2O8 MolecularWeight: 354.31202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O8/c1-4-24-14(18)5-9(2)10(3)25-15(19)11-6-12(16(20)21)8-13(7-11)17(22)23/h6-10H,4-5H2,1-3H3/t9-,10+/m0/s1