(2-oxidanylideneoxolan-3-yl) 4-methyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylideneoxolan-3-yl) 4-methyl-3-nitro-benzoate Openeye Name: (2-oxotetrahydrofuran-3-yl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (2-oxo-3-oxolanyl) ester IUPAC Name: (2-oxooxolan-3-yl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (2-ketotetrahydrofuran-3-yl) ester Formula: C12H11NO6 MolecularWeight: 265.21884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2CCOC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2CCOC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H11NO6/c1-7-2-3-8(6-9(7)13(16)17)11(14)19-10-4-5-18-12(10)15/h2-3,6,10H,4-5H2,1H3