[(2S,3R)-4-ethoxy-3-methyl-4-oxidanylidene-butan-2-yl] 3,5-dinitrobenzoate

Systemtic Name: [(2S,3R)-4-ethoxy-3-methyl-4-oxidanylidene-butan-2-yl] 3,5-dinitrobenzoate Openeye Name: [(1S,2R)-3-ethoxy-1,2-dimethyl-3-oxo-propyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(2S,3R)-4-ethoxy-3-methyl-4-oxobutan-2-yl] ester IUPAC Name: [(2S,3R)-4-ethoxy-3-methyl-4-oxobutan-2-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1S,2R)-3-ethoxy-3-keto-1,2-dimethyl-propyl] ester Formula: C14H16N2O8 MolecularWeight: 340.28544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O8/c1-4-23-13(17)8(2)9(3)24-14(18)10-5-11(15(19)20)7-12(6-10)16(21)22/h5-9H,4H2,1-3H3/t8-,9+/m1/s1