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

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3CCOC3=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)O[C@H]3CCOC3=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-10-15(20(23)24)11(2)19(18-10)9-12-3-5-13(6-4-12)16(21)26-14-7-8-25-17(14)22/h3-6,14H,7-9H2,1-2H3/t14-/m0/s1