[(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-nitro-pyrrolidin-3-yl]methanol

Systemtic Name: [(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-nitro-pyrrolidin-3-yl]methanol Openeye Name: [(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-nitro-pyrrolidin-3-yl]methanol CAS Name: [(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-nitro-3-pyrrolidinyl]methanol IUPAC Name: [(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-nitropyrrolidin-3-yl]methanol Traditional Name: [(3R,4S)-4-(4-methoxyphenyl)-1-methyl-3-nitro-pyrrolidin-3-yl]methanol Formula: C13H18N2O4 MolecularWeight: 266.29302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(C1)(CO)[N+](=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

CN1C[C@@H]([C@@](C1)(CO)[N+](=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H18N2O4/c1-14-7-12(13(8-14,9-16)15(17)18)10-3-5-11(19-2)6-4-10/h3-6,12,16H,7-9H2,1-2H3/t12-,13-/m1/s1