[(3R)-1-methyl-5-oxidanylidene-pyrrolidin-3-yl] 4-nitrobenzoate

Systemtic Name: [(3R)-1-methyl-5-oxidanylidene-pyrrolidin-3-yl] 4-nitrobenzoate Openeye Name: [(3R)-1-methyl-5-oxo-pyrrolidin-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3R)-1-methyl-5-oxo-3-pyrrolidinyl] ester IUPAC Name: [(3R)-1-methyl-5-oxopyrrolidin-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3R)-5-keto-1-methyl-pyrrolidin-3-yl] ester Formula: C12H12N2O5 MolecularWeight: 264.23408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C[C@@H](CC1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O5/c1-13-7-10(6-11(13)15)19-12(16)8-2-4-9(5-3-8)14(17)18/h2-5,10H,6-7H2,1H3/t10-/m1/s1