(1S,2S)-1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-2-nitro-butan-1-amine

Systemtic Name: (1S,2S)-1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-2-nitro-butan-1-amine Openeye Name: (1S,2S)-1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-2-nitro-butan-1-amine CAS Name: (1S,2S)-1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-2-nitro-1-butanamine IUPAC Name: (1S,2S)-1-cyclohexyl-N-[(4-methoxyphenyl)methyl]-2-nitrobutan-1-amine Traditional Name: [(1S,2S)-1-cyclohexyl-2-nitro-butyl]-p-anisyl-amine Formula: C18H28N2O3 MolecularWeight: 320.42652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1CCCCC1)NCC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H]([C@H](C1CCCCC1)NCC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H28N2O3/c1-3-17(20(21)22)18(15-7-5-4-6-8-15)19-13-14-9-11-16(23-2)12-10-14/h9-12,15,17-19H,3-8,13H2,1-2H3/t17-,18-/m0/s1