[1-(3-methyl-4-nitro-phenyl)pyrrolidin-3-yl] methanesulfonate

Systemtic Name: [1-(3-methyl-4-nitro-phenyl)pyrrolidin-3-yl] methanesulfonate Openeye Name: [1-(3-methyl-4-nitro-phenyl)pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [1-(3-methyl-4-nitrophenyl)-3-pyrrolidinyl] ester IUPAC Name: [1-(3-methyl-4-nitrophenyl)pyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-(3-methyl-4-nitro-phenyl)pyrrolidin-3-yl] ester Formula: C12H16N2O5S MolecularWeight: 300.33084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCC(C2)OS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCC(C2)OS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O5S/c1-9-7-10(3-4-12(9)14(15)16)13-6-5-11(8-13)19-20(2,17)18/h3-4,7,11H,5-6,8H2,1-2H3