(1S,2R)-N-[(2-methylphenyl)methyl]-2-nitro-1-phenyl-butan-1-amine

Systemtic Name: (1S,2R)-N-[(2-methylphenyl)methyl]-2-nitro-1-phenyl-butan-1-amine Openeye Name: (1S,2R)-2-nitro-N-(o-tolylmethyl)-1-phenyl-butan-1-amine CAS Name: (1S,2R)-N-[(2-methylphenyl)methyl]-2-nitro-1-phenyl-1-butanamine IUPAC Name: (1S,2R)-N-[(2-methylphenyl)methyl]-2-nitro-1-phenylbutan-1-amine Traditional Name: (2-methylbenzyl)-[(1S,2R)-2-nitro-1-phenyl-butyl]amine Formula: C18H22N2O2 MolecularWeight: 298.37948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)NCC2=CC=CC=C2C)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]([C@H](C1=CC=CC=C1)NCC2=CC=CC=C2C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O2/c1-3-17(20(21)22)18(15-10-5-4-6-11-15)19-13-16-12-8-7-9-14(16)2/h4-12,17-19H,3,13H2,1-2H3/t17-,18+/m1/s1