(3R,4S)-3-nitro-1-(phenylmethyl)-4-(4-propan-2-ylphenyl)pyrrolidine

Systemtic Name: (3R,4S)-3-nitro-1-(phenylmethyl)-4-(4-propan-2-ylphenyl)pyrrolidine Openeye Name: (3S,4R)-1-benzyl-3-(4-isopropylphenyl)-4-nitro-pyrrolidine CAS Name: (3R,4S)-3-nitro-1-(phenylmethyl)-4-(4-propan-2-ylphenyl)pyrrolidine IUPAC Name: (3R,4S)-1-benzyl-3-nitro-4-(4-propan-2-ylphenyl)pyrrolidine Traditional Name: (3R,4S)-1-benzyl-3-nitro-4-p-cumenyl-pyrrolidine Formula: C20H24N2O2 MolecularWeight: 324.41676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2CN(CC2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H]2CN(C[C@@H]2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-15(2)17-8-10-18(11-9-17)19-13-21(14-20(19)22(23)24)12-16-6-4-3-5-7-16/h3-11,15,19-20H,12-14H2,1-2H3/t19-,20+/m1/s1