(3R,4R,5S)-5-methyl-4-nitro-1-(phenylmethyl)azepan-3-ol

Systemtic Name: (3R,4R,5S)-5-methyl-4-nitro-1-(phenylmethyl)azepan-3-ol Openeye Name: (3R,4R,5S)-1-benzyl-5-methyl-4-nitro-azepan-3-ol CAS Name: (3R,4R,5S)-5-methyl-4-nitro-1-(phenylmethyl)-3-azepanol IUPAC Name: (3R,4R,5S)-1-benzyl-5-methyl-4-nitroazepan-3-ol Traditional Name: (3R,4R,5S)-1-benzyl-5-methyl-4-nitro-azepan-3-ol Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1[N+](=O)[O-])O)CC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCN(C[C@H]([C@@H]1[N+](=O)[O-])O)CC2=CC=CC=C2

InChI

InChI=1S/C14H20N2O3/c1-11-7-8-15(9-12-5-3-2-4-6-12)10-13(17)14(11)16(18)19/h2-6,11,13-14,17H,7-10H2,1H3/t11-,13+,14+/m0/s1