[(3S)-2-oxidanylideneoxolan-3-yl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C11H13N3O6 MolecularWeight: 283.23742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC2CCOC2=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O[C@H]2CCOC2=O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O6/c1-6-10(14(17)18)7(2)13(12-6)5-9(15)20-8-3-4-19-11(8)16/h8H,3-5H2,1-2H3/t8-/m0/s1